SCHEMBL6814978

SCHEMBL6814978

CC(O)c1ccc(NC(=O)N(S)c2ccc(NC(=O)c3ccccc3F)cc2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 3/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PNLIP P16233 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.45
GRM4 Q14833 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
PTPRC P08575 2/20 0.43
FADS1 O60427 1/20 0.43

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
SCHEMBL6815406 0.87 FADS1 (0.58) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL6811790 0.87 NPC1 (0.55) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL6811226 0.86 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL6811335 0.86 KMT2A (0.59) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL6819530 0.85 NPC1 (0.61) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL6815362 0.84 KMT2A (0.55) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL6816084 0.84 NPC1 (0.53) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL6815621 0.84 NPC1 (0.52) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL6815678 0.84 FADS1 (0.55) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL6816752 0.84 NPC1 (0.52) RAB9ANPC1SMN1; SMN2HPGDMAPT

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 10 patents. 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-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US 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
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed