SCHEMBL8633055

SCHEMBL8633055

CC=Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(C)cc2)c1COCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.39
F10 P00742 12/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GHSR Q92847 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
SCHEMBL8632687 0.92 PTGS1 (0.42) ARF10F2PRSS1PRSS2
SCHEMBL7778100 0.87 PTGS2 (0.44) ARPTGS1PTGS2
SCHEMBL8634846 0.85 PTGS2 (0.41) ARF10F2PRSS1PRSS2
SCHEMBL8634446 0.85 F10 (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL8630545 0.84 AR (0.38) ARF10F2PRSS1PRSS2
SCHEMBL8631397 0.84 PTGS2 (0.41) ARF10F2PRSS1PRSS2
SCHEMBL8632230 0.83 PTGS2 (0.37) ARF10F2PRSS1PRSS2
SCHEMBL7773108 0.82 PTGS2 (0.45) ARPTGS1PTGS2GHSR
SCHEMBL8634436 0.81 F10 (0.40) F10
SCHEMBL8635633 0.81 AR (0.36) ARF10F2PRSS1PRSS2

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