SCHEMBL8922808

SCHEMBL8922808

CCOC(=O)c1cc(-c2ccc(SC)cc2)n(-c2ccc(C(N)=O)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.59
CHRNA7 P36544 2/20 0.57
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
FAAH O00519 3/20 0.48
MAPT P10636 2/20 0.44
BCL2 P10415 2/20 0.44
MDM2 Q00987 2/20 0.44
MCL1 Q07820 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS2 P35354 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGLL Q99685 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL8642428 0.91 CA9 (0.58) CA9CHRNA7ALDH1A1FAAHMAPT
SCHEMBL8923289 0.91 CA9 (0.58) CA9CHRNA7ALDH1A1HPGDFAAH
SCHEMBL9201591 0.89 CA9 (0.61) CA9CHRNA7FAAHBCL2MDM2
SCHEMBL9201539 0.89 CA9 (0.70) CA9CHRNA7FAAHMAPTBCL2
SCHEMBL9200872 0.87 CHRNA7 (0.71) CA9CHRNA7FAAHBCL2MDM2
SCHEMBL9202688 0.87 CHRNA7 (0.71) CA9CHRNA7FAAHBCL2MDM2
SCHEMBL9206389 0.87 CA9 (0.64) CA9CHRNA7FAAHMAPTBCL2
SCHEMBL7467365 0.86 CA9 (0.58) CA9CHRNA7FAAHBCL2MDM2
Hydrochloric Acid SCHEMBL9209971 0.85 CA9 (0.56) CA9CHRNA7ALDH1A1FAAHMAPT
SCHEMBL8922991 0.84 CA9 (0.56) CA9CHRNA7FAAHBCL2MDM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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