SCHEMBL6819633

SCHEMBL6819633

COc1ccccc1C(C)NC(=O)N(S)c1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.50
RAB9A P51151 9/20 0.50
SMN1; SMN2 Q16637 8/20 0.50
MAPT P10636 5/20 0.50
TP53 P04637 3/20 0.50
LMNA P02545 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HPGD P15428 1/20 0.49
KMT2A Q03164 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
MEN1 O00255 3/20 0.48
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL6811885 0.91 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6811358 0.88 RAB9A (0.52) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6819414 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6820143 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6819340 0.85 TDP1 (0.53) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6811173 0.85 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6819627 0.85 LMNA (0.57) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6814285 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6819726 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6815228 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTTP53

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 12 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
EP-1137632-A1 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-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 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
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed