SCHEMBL6816658

SCHEMBL6816658

O=C(Nc1ccc(N(S)C(=O)NCCc2ccccc2)cc1)c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.60
NPC1 O15118 8/20 0.60
SMN1; SMN2 Q16637 7/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.45
ADRB2 P07550 1/20 0.44
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL6819277 0.94 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL6816350 0.94 LMNA (0.57) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7784390 0.92 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7599461 0.92 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7596499 0.92 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7596710 0.92 SMN1; SMN2 (0.63) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7596305 0.92 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL6814958 0.91 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7593650 0.90 TLR8 (0.49) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7599218 0.89 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTLMNA

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 30 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
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US 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-6410571-B1 VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2002-06-25 US disclosed
US-6403617-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMANHERPESVIRUSES-6 AND -7, AND KAPOSI HERPESVIRUS AMERICAN HOME PRODUCTS CORP. 2002-06-11 US disclosed
US-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US 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
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES 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-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-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-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES 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