SCHEMBL8627595

SCHEMBL8627595

COc1ccc(-c2cn(Cc3ccccc3)nc2-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.48
PTGS2 P35354 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
SCN9A Q15858 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F2 P00734 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FFAR4 Q5NUL3 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
SCHEMBL8631182 0.89 PTGS2 (0.44) PTGS2KMT2ANPC1RAB9AL3MBTL1
SCHEMBL8631646 0.88 SMN1; SMN2 (0.54) F10PTGS2KMT2AMEN1NPC1
SCHEMBL8631931 0.88 MEN1 (0.49) F10KMT2AMEN1SCN9AF2
SCHEMBL7777871 0.87 PTGS2 (0.58) PTGS2KMT2AMEN1
SCHEMBL8629992 0.86 PKM (0.48) F10PTGS2SCN9ANPC1RAB9A
SCHEMBL8628183 0.85 PTGS2 (0.52) PTGS2KMT2ASCN9ANPC1RAB9A
SCHEMBL8628679 0.85 MEN1 (0.58) F10KMT2AMEN1SCN9ARAB9A
SCHEMBL8629361 0.84 TGFBR1 (0.53) F10SCN9AF2
SCHEMBL8633944 0.84 F10 (0.48) F10KMT2AMEN1SCN9AF2
SCHEMBL8630451 0.84 PTGS2 (0.52) F10PTGS2KMT2ASCN9A

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