SCHEMBL6497499

SCHEMBL6497499

Cc1sc(-c2ccsc2)nc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.49
DBF4 Q9UBU7 1/20 0.49
GPR35 Q9HC97 1/20 0.43
KDM4E B2RXH2 2/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACMSD Q8TDX5 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
PTGER1 P34995 1/20 0.39
IKBKB O14920 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
DAO P14920 1/20 0.38

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
SCHEMBL3995172 0.80 RARA (0.60) CDC7DBF4KDM4ERARARARB
SCHEMBL3417072 0.79 KDM4E (0.61) KDM4ERARARARBRARGSMN1; SMN2
SCHEMBL6496085 0.76 KDM4E (0.63) KDM4ERARARARBRARGSMN1; SMN2
SCHEMBL6503223 0.76 RARA (0.49) KDM4ERARARARBRARGSMN1; SMN2
SCHEMBL6496395 0.74 PIN1 (0.54) KDM4ERARARARBRARGADORA3
SCHEMBL9823302 0.74 PTGDR2 (0.53) KDM4ESMN1; SMN2GAARAB9A
SCHEMBL6504818 0.73 RAB9A (0.44) KDM4ERARARARBRARGSMN1; SMN2
SCHEMBL6505435 0.73 CYP3A4 (0.57) CDC7DBF4GPR35KDM4ERARA
SCHEMBL6506142 0.72 DAO (0.44) KDM4ERARARARBRARGSMN1; SMN2
SCHEMBL6496780 0.72 KDM4E (0.64) KDM4ESMN1; SMN2GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed