SCHEMBL6496780

SCHEMBL6496780

Cc1sc(-c2cccs2)nc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.64
ALDH1A1 P00352 5/20 0.54
GAA P10253 4/20 0.51
ERCC1 P07992 2/20 0.50
FEN1 P39748 2/20 0.50
ERCC4 Q92889 2/20 0.50
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 2/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 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
SCHEMBL352099 0.86 KDM4E (0.55) KDM4EALDH1A1GAAERCC1FEN1
SCHEMBL6505829 0.81 KDM4E (0.56) KDM4EALDH1A1GAAERCC1FEN1
SCHEMBL6506142 0.79 DAO (0.44) KDM4EALDH1A1GAARAB9ANPC1
SCHEMBL3418775 0.78 KDM4E (1.00) KDM4EALDH1A1GAARAB9ANPC1
SCHEMBL9629249 0.77 KDM4E (0.54) KDM4EALDH1A1GAARAB9ANPC1
SCHEMBL3995172 0.77 RARA (0.60) KDM4EALDH1A1GAANPC1SMN1; SMN2
SCHEMBL10091957 0.76 KDM4E (0.61) KDM4EALDH1A1GAARAB9ANPC1
SCHEMBL6498884 0.75 DAO (0.44) KDM4EALDH1A1GAARAB9ANPC1
SCHEMBL6505414 0.73 HPGD (0.47) KDM4EALDH1A1GAARAB9ANPC1
SCHEMBL10717905 0.73 RARA (0.52) KDM4EALDH1A1GAARAB9ANPC1

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