SCHEMBL8628679

SCHEMBL8628679

COc1ccc(-c2cn(CCCO)nc2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
F10 P00742 16/20 0.48
SCN9A Q15858 1/20 0.46
F2 P00734 1/20 0.45
RAB9A P51151 1/20 0.42

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
SCHEMBL8634888 0.88 F10 (0.43) MEN1KMT2AF10F2RAB9A
SCHEMBL8631931 0.88 MEN1 (0.49) MEN1KMT2AF10SCN9AF2
SCHEMBL8635543 0.87 PTGIR (0.51) MEN1KMT2AF10SCN9AF2
SCHEMBL8632189 0.87 MEN1 (0.50) MEN1KMT2AF10SCN9AF2
SCHEMBL8629226 0.85 PTGS2 (0.49) MEN1KMT2AF10F2
SCHEMBL8634432 0.85 PTGS2 (0.44) MEN1KMT2AF10F2
SCHEMBL8632643 0.85 PTGS2 (0.53) MEN1KMT2AF10
SCHEMBL8627595 0.85 F10 (0.48) MEN1KMT2AF10SCN9AF2
SCHEMBL7779737 0.84 MEN1 (0.67) MEN1KMT2A
SCHEMBL8629361 0.84 TGFBR1 (0.53) F10SCN9AF2

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