SCHEMBL7655027

SCHEMBL7655027

NC(=O)c1ccc(N(S)C(=O)NCc2cccc(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
PARP10 Q53GL7 1/20 0.50
NTRK1 P04629 1/20 0.44
PARP1 P09874 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
SRC P12931 1/20 0.43
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
RPS6KB1 P23443 3/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
ALOX5 P09917 1/20 0.41
EPHX2 P34913 1/20 0.41
HDAC1 Q13547 1/20 0.41
ROCK2 O75116 3/20 0.41
NAMPT P43490 1/20 0.40
CDC7 O00311 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL6814775 0.89 METAP2 (0.41) MAOBPARP10OPRM1OPRD1OPRK1
SCHEMBL6815566 0.88 MAOB (0.48) MAOBPARP10NTRK1PARP1OPRM1
SCHEMBL6815181 0.85 HDAC1 (0.47) PARP1RAB9ARPS6KB1HDAC1
SCHEMBL6819460 0.85 ROCK2 (0.40) MAOBPARP10OPRM1OPRD1OPRK1
SCHEMBL7568347 0.85 MLYCD (0.54) MAOBRAB9ARPS6KB1AURKAAURKB
SCHEMBL7657200 0.85 MAOB (0.46) MAOBPARP10RAB9AEPHX2HDAC1
SCHEMBL6816846 0.84 OPRM1 (0.50) PARP10OPRM1OPRD1OPRK1EPHX2
SCHEMBL6815184 0.84 VNN1 (0.46) MAOBRPS6KB1AURKAEPHX2ROCK2
SCHEMBL6815202 0.81 VNN1 (0.47) MAOBMAPK1EPHX2NAMPT
SCHEMBL7587443 0.81 CNR2 (0.42) MAPK1EPHX2HDAC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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