SCHEMBL8634271

SCHEMBL8634271

CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(OC)c(F)c2)c1CO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.41
PTGS1 P23219 3/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 1/20 0.39
PI4KB Q9UBF8 4/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
ACLY P53396 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MEP1B Q16820 1/20 0.37
EDNRA P25101 1/20 0.37

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
SCHEMBL8632910 0.91 CCR4 (0.42) PTGS2PTGS1PI4KB
SCHEMBL8631946 0.89 ACLY (0.39) PTGS2PTGS1MAPTKMT2AHTR6
SCHEMBL8632918 0.89 PI4KB (0.41) PTGS2PTGS1MAPTHTR6PI4KB
SCHEMBL8628869 0.89 PTGS2 (0.38) PTGS2PTGS1MAPTKMT2AHTR6
SCHEMBL8630468 0.88 SMN1; SMN2 (0.50) PTGS2PTGS1MAPTSMN1; SMN2MEN1
SCHEMBL8631448 0.85 SMN1; SMN2 (0.40) PTGS2PTGS1MAPTSMN1; SMN2MEN1
SCHEMBL8631745 0.85 PTGS2 (0.41) PTGS2PTGS1MAPTSMN1; SMN2MEN1
SCHEMBL8635601 0.84 ACLY (0.46) PTGS2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8629095 0.84 MAPT (0.39) PTGS2PTGS1MAPTSMN1; SMN2MEN1
SCHEMBL8633689 0.81 SMN1; SMN2 (0.50) MAPTSMN1; SMN2MEN1KMT2AHTT

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