Sugi Predict

Sugi Predict / Compounds / SCHEMBL8633256

SCHEMBL8633256

SCHEMBL8633256

Cc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(CCCO)c2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ F10 P00742 10/20 0.41
▸ SCN5A Q14524 2/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ F2 P00734 3/20 0.36
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 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
SCHEMBL8631641 0.92 PTGS2 (0.43) PTGS2PTGS1F10SCN5ASCN9A
SCHEMBL8627992 0.91 PTGS2 (0.52) PTGS2PTGS1F10SCN5ASCN9A
SCHEMBL8633211 0.90 PTGS2 (0.42) PTGS2PTGS1F10SCN5ASCN9A
SCHEMBL8632644 0.90 PTGS2 (0.42) PTGS2PTGS1F10SCN5ASCN9A
SCHEMBL8631660 0.90 F10 (0.50) PTGS2PTGS1F10SCN9AF2
SCHEMBL8629101 0.88 F10 (0.39) PTGS2PTGS1F10SCN5ASCN9A
SCHEMBL8631963 0.88 F10 (0.42) PTGS2PTGS1F10SCN5ASCN9A
SCHEMBL8630025 0.87 PTGS2 (0.58) PTGS2PTGS1F10F2
SCHEMBL8629728 0.86 PTGS2 (0.44) PTGS2PTGS1F10F2PRSS1
SCHEMBL8634283 0.86 F10 (0.42) PTGS2PTGS1F10SCN5ASCN9A

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