SCHEMBL6208428

SCHEMBL6208428

COc1ccc(-n2nc(C(=O)C(C)C)cc2-c2ccc(CN(C(=O)O)C(C)(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 5/20 0.53
MALT1 Q9UDY8 1/20 0.48
MARS1 P56192 1/20 0.47
CHRNA7 P36544 1/20 0.47
MGLL Q99685 1/20 0.47
MDM2 Q00987 5/20 0.46
MCL1 Q07820 5/20 0.46
BCL2 P10415 4/20 0.46

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
SCHEMBL6193095 0.87 RPA1 (0.47) RPA1MDM2MCL1BCL2
SCHEMBL6209389 0.87 MDM2 (0.40) RPA1MALT1MGLLMDM2MCL1
SCHEMBL6207636 0.84 MGLL (0.57) RPA1MALT1MARS1CHRNA7MGLL
SCHEMBL5149026 0.83 PTGS2 (0.53) RPA1CHRNA7
SCHEMBL5427928 0.83 ALOX5 (0.47)
SCHEMBL14505062 0.82 RPA1 (0.56) RPA1MALT1MARS1CHRNA7MGLL
Hydrochloric Acid SCHEMBL5148901 0.82 RPA1 (0.56) RPA1MALT1MARS1CHRNA7MDM2
SCHEMBL5148639 0.82 RPA1 (0.58) RPA1MALT1MARS1CHRNA7MDM2
SCHEMBL14505048 0.79 RPA1 (0.57) RPA1MALT1MARS1CHRNA7MDM2
SCHEMBL5148778 0.78 CHRNA7 (0.52) RPA1MALT1MARS1CHRNA7

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