SCHEMBL6502591

SCHEMBL6502591

CCc1sc(-c2ccc(F)c(Cl)c2)nc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MDM2 Q00987 1/20 0.45
KMO O15229 2/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RPA1 P27694 1/20 0.41
ABL1 P00519 1/20 0.41
COPS5 Q92905 1/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39

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
SCHEMBL18003208 0.87 L3MBTL1 (0.62) L3MBTL1TP53MAPTABL1PTGDR2
SCHEMBL6503373 0.84 L3MBTL1 (0.57) L3MBTL1MAPTPTGDR2KDM4EALDH1A1
SCHEMBL6495754 0.83 MDM2 (0.47) MDM2KMOTP53MAPTRPA1
SCHEMBL18003210 0.79 TP53 (0.37) KMOTP53MAPTABL1PTGDR2
SCHEMBL6502484 0.77 L3MBTL1 (0.58) L3MBTL1TP53MAPTPTGDR2KDM4E
SCHEMBL6602729 0.77 L3MBTL1 (0.74) L3MBTL1PTGDR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL12875848 0.75 L3MBTL1 (0.56) L3MBTL1KMOMAPTPTGDR2KDM4E
SCHEMBL18003704 0.75 L3MBTL1 (0.67) L3MBTL1MAPTABL1PTGDR2KDM4E
SCHEMBL27500333 0.75 L3MBTL1 (0.56) L3MBTL1MAPTCOPS5PTGDR2KDM4E
SCHEMBL5238288 0.74 L3MBTL1 (0.58) L3MBTL1PTGDR2KDM4EALDH1A1HPGD

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