SCHEMBL6814890

SCHEMBL6814890

COc1cc(N(S)C(=O)NC(C)c2ccc(F)cc2)c(C)cc1NC(=O)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 2/20 0.41
NPC1 O15118 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40
CNR2 P34972 1/20 0.40
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL6819526 0.93 KMT2A (0.50) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6816619 0.86 KMT2A (0.48) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6816275 0.84 HPGD (0.50) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6815741 0.84 KMT2A (0.46) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6816606 0.83 LMNA (0.49) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL7572931 0.82 KMT2A (0.48) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6814884 0.81 ALDH1A1 (0.51) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6816216 0.81 LMNA (0.42) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6819430 0.80 KDM4E (0.72) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL6814533 0.80 ALDH1A1 (0.55) KMT2AALDH1A1KDM4ESMN1; SMN2RAB9A

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 14 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 claimed
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 claimed
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-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 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-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-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed