SCHEMBL6496085

SCHEMBL6496085

Cc1sc(-c2ccc(Cl)cc2)nc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
POLB P06746 2/20 0.63
NPC1 O15118 1/20 0.63
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 2/20 0.50
XDH P47989 1/20 0.49
RARA P10276 1/20 0.49
RARB P10826 1/20 0.49
RARG P13631 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.46

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
SCHEMBL3417072 0.87 KDM4E (0.61) KDM4ERAB9ASMN1; SMN2POLBNPC1
SCHEMBL3995172 0.85 RARA (0.60) KDM4ESMN1; SMN2NPC1MAPTKMT2A
SCHEMBL6503223 0.84 RARA (0.49) KDM4ERAB9ASMN1; SMN2POLBNPC1
SCHEMBL6504818 0.84 RAB9A (0.44) KDM4ERAB9ASMN1; SMN2POLBNPC1
SCHEMBL29462096 0.83 KDM4E (0.57) KDM4ERAB9ASMN1; SMN2POLBNPC1
SCHEMBL6495754 0.83 MDM2 (0.47) KDM4ERAB9ASMN1; SMN2POLBNPC1
SCHEMBL9823302 0.81 PTGDR2 (0.53) KDM4ERAB9ASMN1; SMN2NPC1MAPT
SCHEMBL5192550 0.81 KDM4E (0.55) KDM4ERAB9ASMN1; SMN2POLBNPC1
SCHEMBL6503373 0.80 L3MBTL1 (0.57) KDM4ERAB9ASMN1; SMN2POLBNPC1
SCHEMBL14064272 0.80 RAB9A (0.48) KDM4ERAB9ASMN1; SMN2POLBNPC1

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

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