SCHEMBL8632274

SCHEMBL8632274

CC=Cn1cc(-c2ccccc2)c(-c2ccccc2S(N)(=O)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAOB P27338 1/20 0.34

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
SCHEMBL8628225 0.91 F10 (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL8632661 0.90 PTGS2 (0.44) F10F2PRSS1PRSS2PRSS3
SCHEMBL8633655 0.88 F10 (0.47) F10F2
SCHEMBL7779948 0.84 PTGS2 (0.49) CA12CA1CA2CA9MAOB
SCHEMBL8631626 0.83 ALOX5AP (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL7454284 0.82 F10 (0.39) F10F2PRSS1PRSS2PRSS3
SCHEMBL8629935 0.81 PTGS2 (0.53) F10
SCHEMBL8628190 0.80 F10 (0.48) F10F2PRSS1PRSS2PRSS3
SCHEMBL7772800 0.77 PTGS2 (0.51)
SCHEMBL8627787 0.74 F10 (0.38) F10F2PRSS1PRSS2PRSS3

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