SCHEMBL8635543

SCHEMBL8635543

NS(=O)(=O)c1ccccc1-c1nn(CCCO)cc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.51
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
F10 P00742 5/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
PTGS2 P35354 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
SCN9A Q15858 2/20 0.38
FAAH O00519 1/20 0.36

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
SCHEMBL8629226 0.90 PTGS2 (0.49) PTGIRCA1CA2CA9F10
SCHEMBL8634432 0.90 PTGS2 (0.44) PTGIRF10F2PRSS1PRSS2
SCHEMBL8634888 0.90 F10 (0.43) PTGIRCA1CA2CA9F10
SCHEMBL8628679 0.87 MEN1 (0.58) F10F2MEN1KMT2ASCN9A
SCHEMBL8629705 0.84 PTGIR (0.43) PTGIRCA1CA2CA9F10
SCHEMBL8635525 0.84 ALOX5AP (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL7773166 0.84 PTGIR (0.56) PTGIRCA1CA2CA9PTGS2
SCHEMBL8631182 0.83 PTGS2 (0.44) PTGIRCA1CA2CA9PTGS2
SCHEMBL8632643 0.81 PTGS2 (0.53) F10PTGS2MEN1KMT2A
SCHEMBL8631526 0.81 ROS1 (0.40) PTGIRCA1CA2CA9F10

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