SCHEMBL6210243

SCHEMBL6210243

COc1ccc(-n2nc(C)cc2-c2ccc(OCCOC(N)=O)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
PTGS2 P35354 3/20 0.38
CHRNA7 P36544 1/20 0.38
BCL2 P10415 2/20 0.38
MDM2 Q00987 2/20 0.38
MCL1 Q07820 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CCKAR P32238 2/20 0.38
ALOX5 P09917 1/20 0.38
RPA1 P27694 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL6210679 0.89 BCL2 (0.43) FABP3FABP4PTGS2CHRNA7BCL2
SCHEMBL6209746 0.87 MDM2 (0.42) FABP3FABP4PTGS2CHRNA7BCL2
SCHEMBL6208556 0.86 FABP3 (0.40) FFAR4FABP3FABP4PTGS2CHRNA7
SCHEMBL6208574 0.84 MDM2 (0.41) PTGS2CHRNA7BCL2MDM2MCL1
SCHEMBL6208572 0.83 MALT1 (0.45) PTGS2CHRNA7BCL2MDM2MCL1
SCHEMBL14505008 0.83 MDM2 (0.43) FABP3FABP4PTGS2CHRNA7BCL2
SCHEMBL14504991 0.80 MDM2 (0.46) FABP3FABP4PTGS2CHRNA7BCL2
SCHEMBL14505015 0.79 PTGS2 (0.40) FABP3FABP4PTGS2ALOX5
SCHEMBL5147693 0.78 MALT1 (0.41) FABP3FABP4PTGS2CHRNA7BCL2
SCHEMBL5148690 0.78 FABP3 (0.41) FABP3FABP4PTGS2BCL2MDM2

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
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 WO disclosed