SCHEMBL8628074

SCHEMBL8628074

CC=Cn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(Cl)cc2)c1CO

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 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
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL8634446 0.91 F10 (0.41) F10F2PRSS1PRSS2PRSS3
SCHEMBL8630033 0.85 F10 (0.39) F10F2PRSS1PRSS2PRSS3
SCHEMBL8632687 0.85 PTGS1 (0.42) F10F2PRSS1PRSS2PRSS3
SCHEMBL7779634 0.83 PTGS2 (0.47) PTGS1PTGS2
SCHEMBL8629795 0.82 PTGS2 (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL8631385 0.82 F10 (0.39) F10F2PRSS1PRSS2PRSS3
SCHEMBL8632806 0.82 F10 (0.36) F10F2PRSS1PRSS2PRSS3
SCHEMBL8629763 0.82 F10 (0.39) F10F2PRSS1PRSS2PRSS3
SCHEMBL8628872 0.82 PTGS2 (0.47) F10F2PTGS1PTGS2
SCHEMBL8631157 0.80 F10 (0.36) 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