SCHEMBL8633944

SCHEMBL8633944

COc1ccc(-c2cn(CC#N)nc2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SCN9A Q15858 1/20 0.43
F2 P00734 1/20 0.42
MAPKAPK2 P49137 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
SCHEMBL8628932 0.88 ROS1 (0.41) F10KMT2AMEN1F2
SCHEMBL8631526 0.88 ROS1 (0.40) F10SCN9AF2
SCHEMBL8631931 0.87 MEN1 (0.49) F10KMT2AMEN1SCN9AF2
SCHEMBL8631613 0.86 PTGS2 (0.43) F10KMT2A
SCHEMBL8628002 0.86 PTGS2 (0.43) F10F2
SCHEMBL7780657 0.85 KMT2A (0.53) KMT2AMEN1MAPKAPK2
SCHEMBL8627979 0.84 PTGS2 (0.51) F10
SCHEMBL8627595 0.84 F10 (0.48) F10KMT2AMEN1SCN9AF2
SCHEMBL8628679 0.84 MEN1 (0.58) F10KMT2AMEN1SCN9AF2
SCHEMBL8632189 0.82 MEN1 (0.50) F10KMT2AMEN1SCN9AF2

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