SCHEMBL6209999

SCHEMBL6209999

CCS(=O)(=O)NCc1ccc(-c2cc(Cl)nn2-c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.48
PTGS1 P23219 7/20 0.48
MALT1 Q9UDY8 2/20 0.47
RPA1 P27694 4/20 0.47
CHRNA7 P36544 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX5 P09917 1/20 0.44

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
SCHEMBL5148741 0.90 MALT1 (0.57) PTGS2PTGS1MALT1RPA1CHRNA7
SCHEMBL6210021 0.86 MALT1 (0.41) PTGS2PTGS1MALT1RPA1
SCHEMBL5150683 0.81 MALT1 (0.56) PTGS2PTGS1MALT1RPA1CHRNA7
SCHEMBL5150623 0.79 PTGS2 (0.53) PTGS2PTGS1MALT1RPA1CHRNA7
SCHEMBL7872946 0.78 PTGS2 (0.62) PTGS2PTGS1CA1CA2CA9
SCHEMBL5148918 0.78 MALT1 (0.53) PTGS2PTGS1MALT1RPA1CHRNA7
SCHEMBL5148777 0.78 MALT1 (0.50) PTGS2PTGS1MALT1CHRNA7CA1
SCHEMBL5148640 0.77 PTGS2 (0.54) PTGS2PTGS1MALT1CHRNA7CA1
SCHEMBL5152212 0.76 MALT1 (0.51) PTGS2MALT1RPA1
SCHEMBL5150506 0.76 CA1 (0.49) PTGS2PTGS1MALT1RPA1CHRNA7

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