SCHEMBL8635633

SCHEMBL8635633

Cc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(CC#N)c2COCc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
GHSR Q92847 6/20 0.36
F10 P00742 7/20 0.33
PTGS2 P35354 2/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
PTGS1 P23219 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8632287 0.91 PTGS2 (0.42) ARGHSRPTGS2PTGS1KDM4E
SCHEMBL8631397 0.89 PTGS2 (0.41) ARF10PTGS2F2PRSS1
SCHEMBL8630545 0.89 AR (0.38) ARGHSRF10PTGS2F2
SCHEMBL8632230 0.87 PTGS2 (0.37) ARF10PTGS2F2PRSS1
SCHEMBL7778268 0.87 PTGS2 (0.43) ARGHSRPTGS2PTGS1
SCHEMBL8629873 0.85 PTGS2 (0.41) GHSRF10PTGS2F2PRSS1
SCHEMBL8633375 0.85 F10 (0.37) F10PTGS2F2PRSS1PRSS2
SCHEMBL8630040 0.83 POLB (0.36) F10PTGS2KDM4EHPGD
SCHEMBL7777935 0.83 PTGS2 (0.46) ARGHSRPTGS2PTGS1
SCHEMBL8633055 0.81 AR (0.39) ARGHSRF10PTGS2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed