SCHEMBL6495873

SCHEMBL6495873

CCc1sc(-c2ccccc2Cl)nc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 4/20 0.55
RXFP1 Q9HBX9 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
DHODH Q02127 1/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL6503752 0.81 HTR2C (0.50) ALDH1A1KDM4ERXFP1KMT2AMEN1
SCHEMBL7980169 0.81 PTGDR2 (0.58) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL6602729 0.81 L3MBTL1 (0.74) ALDH1A1KDM4EL3MBTL1SMN1; SMN2CDC7
SCHEMBL6503373 0.77 L3MBTL1 (0.57) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL16399964 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ERXFP1L3MBTL1KMT2A
SCHEMBL7593177 0.75 L3MBTL1 (0.46) ALDH1A1KDM4ERXFP1L3MBTL1KMT2A
SCHEMBL6427866 0.75 KDM4E (0.57) ALDH1A1KDM4EL3MBTL1KMT2AMAPT
SCHEMBL6502591 0.74 L3MBTL1 (0.47) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL8408123 0.74 L3MBTL1 (0.47) L3MBTL1PTGDR2
SCHEMBL6505829 0.73 KDM4E (0.56) ALDH1A1KDM4ERXFP1L3MBTL1KMT2A

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