SCHEMBL6811545

SCHEMBL6811545

CS(=O)(=O)c1ccc(NC(=O)N(S)c2ccc(NC(=O)c3c(F)cccc3F)cc2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 5/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
IL2 P60568 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6816038 0.85 GAA (0.53) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL6816171 0.84 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL6814949 0.83 RAB9A (0.45) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL6811539 0.83 MAPT (0.52) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL6819706 0.83 RAB9A (0.44) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL6815923 0.80 IL2 (0.53) MAPTRAB9AGAANPSR1KMT2A
SCHEMBL6811400 0.77 RAB9A (0.41) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL6816208 0.76 GRM4 (0.51) MAPTRAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL6815262 0.76 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19MAPTRAB9A
SCHEMBL6815348 0.75 POLB (0.57) CYP3A4CYP2C9CYP2C19MAPTRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US disclosed
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed