SCHEMBL8632189

SCHEMBL8632189

COc1ccc(-c2cn(CCN(C)C)nc2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
F10 P00742 14/20 0.45
SCN9A Q15858 2/20 0.42
F2 P00734 1/20 0.42
MAPKAPK2 P49137 1/20 0.40
P2RX3 P56373 1/20 0.40

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
SCHEMBL8629705 0.89 PTGIR (0.43) F10F2
SCHEMBL8630931 0.88 F10 (0.39) MEN1KMT2AF10F2
SCHEMBL8631461 0.87 PTGS2 (0.49) F10F2
SCHEMBL8627604 0.87 PTGS2 (0.41) F10F2
SCHEMBL8628679 0.87 MEN1 (0.58) MEN1KMT2AF10SCN9AF2
SCHEMBL8631931 0.86 MEN1 (0.49) MEN1KMT2AF10SCN9AF2
SCHEMBL7780139 0.85 MEN1 (0.58) MEN1KMT2AMAPKAPK2
SCHEMBL8634386 0.84 PTGS2 (0.50) F10P2RX3
SCHEMBL8627595 0.83 F10 (0.48) MEN1KMT2AF10SCN9AF2
SCHEMBL8629361 0.82 TGFBR1 (0.53) F10SCN9AF2MAPKAPK2

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