SCHEMBL7463244

SCHEMBL7463244

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

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 7/20 0.76
MARS1 P56192 1/20 0.65
MDM2 Q00987 7/20 0.58
MCL1 Q07820 6/20 0.58
BCL2 P10415 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MALT1 Q9UDY8 1/20 0.57
PPP1CA P62136 1/20 0.55
CHRNA7 P36544 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL9056282 0.91 RPA1 (0.90) RPA1MARS1MDM2MCL1BCL2
SCHEMBL3863714 0.89 RPA1 (0.60) RPA1MARS1MDM2MCL1BCL2
SCHEMBL3139245 0.86 RPA1 (1.00) RPA1MARS1MDM2MCL1BCL2
SCHEMBL7467365 0.85 CA9 (0.58) RPA1MARS1MDM2MCL1BCL2
SCHEMBL9204658 0.85 KMT2A (0.72) RPA1MARS1MDM2MCL1BCL2
SCHEMBL9204760 0.85 KMT2A (0.72) RPA1MARS1MDM2MCL1BCL2
SCHEMBL9201599 0.84 RPA1 (0.58) RPA1MDM2MCL1BCL2SMN1; SMN2
SCHEMBL8199732 0.83 RPA1 (0.65) RPA1MARS1SMN1; SMN2PPP1CAL3MBTL1
SCHEMBL8641975 0.82 RPA1 (0.67) RPA1MDM2MCL1BCL2SMN1; SMN2
SCHEMBL32690380 0.82 RPA1 (0.74) RPA1MARS1MDM2MCL1BCL2

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
EP-0554829-B1 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO (JP) 2002-05-15 EP disclosed
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
US-5550147-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTITHROMBOTIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0554829-A2 Pyrazole derivatives with antiinflammatory, analgesic and antithrombolic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-11 EP disclosed