SCHEMBL8631387

SCHEMBL8631387

CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(C#N)cc2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS1 P23219 1/20 0.44
HSD11B1 P28845 9/20 0.43
SLC22A12 Q96S37 1/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ACLY P53396 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
SCN9A Q15858 2/20 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
SCHEMBL8632875 0.90 SMN1; SMN2 (0.50) PTGS2SMN1; SMN2PTGS1MEN1MAPT
SCHEMBL8630021 0.89 SMN1; SMN2 (0.49) PTGS2SMN1; SMN2PTGS1MEN1MAPT
SCHEMBL8629118 0.89 PTGS2 (0.57) PTGS2SMN1; SMN2PTGS1MEN1MAPT
SCHEMBL8630539 0.88 PTGS2 (0.46) PTGS2SMN1; SMN2PTGS1MEN1MAPT
SCHEMBL8488735 0.86 SMN1; SMN2 (0.46) PTGS2SMN1; SMN2PTGS1HSD11B1MEN1
SCHEMBL8634609 0.86 KMT2A (0.45) PTGS2SMN1; SMN2PTGS1MEN1MAPT
SCHEMBL8633058 0.86 PTGS2 (0.44) PTGS2SMN1; SMN2PTGS1MEN1MAPT
SCHEMBL8628839 0.83 EDNRB (0.41) PTGS2SMN1; SMN2HSD11B1MEN1MAPT
SCHEMBL8632202 0.83 MAPT (0.39) PTGS2SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL8629750 0.82 MAPT (0.46) PTGS2SMN1; SMN2PTGS1MEN1MAPT

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