SCHEMBL8629384

SCHEMBL8629384

CSc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(Cc3ccccc3)c2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.44
PTGS1 P23219 3/20 0.43
F10 P00742 3/20 0.37
ENPP1 P22413 1/20 0.35
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
ESR1 P03372 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL8630171 0.90 PTGS2 (0.45) PTGS2PTGS1F10ENPP1F2
SCHEMBL8633059 0.89 PTGS2 (0.55) PTGS2PTGS1F10F2TRPV1
SCHEMBL8629933 0.89 PTGS2 (0.46) PTGS2PTGS1F10ENPP1F2
SCHEMBL8635534 0.88 PTGS2 (0.53) PTGS2PTGS1F10ENPP1F2
SCHEMBL8629984 0.88 PTGS2 (0.44) PTGS2PTGS1F10ENPP1F2
SCHEMBL8631441 0.87 F10 (0.49) PTGS2PTGS1F10F2
SCHEMBL7772978 0.87 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8629107 0.86 PTGS2 (0.43) PTGS2PTGS1F10F2PRSS1
SCHEMBL8632217 0.85 PTGS2 (0.42) PTGS2PTGS1F10F2PRSS1
SCHEMBL8632644 0.85 PTGS2 (0.42) PTGS2PTGS1F10F2PRSS1

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