SCHEMBL8629095

SCHEMBL8629095

CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccc(OC)c(F)c2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARA Q07869 1/20 0.39
SCN9A Q15858 5/20 0.38
HTR6 P50406 1/20 0.38
PI4KB Q9UBF8 4/20 0.38
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
ACLY P53396 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8631745 0.93 PTGS2 (0.41) MAPTMEN1KMT2ASMN1; SMN2PPARA
SCHEMBL8630479 0.91 CCR4 (0.41) PPARAHTR6PI4KBPTGS2PTGS1
SCHEMBL8632815 0.90 PTGS2 (0.38) PPARAHTR6PI4KBPTGS2PTGS1
SCHEMBL8631050 0.90 PTGS2 (0.42) MAPTPPARAHTR6PI4KBPTGS2
SCHEMBL8630468 0.86 SMN1; SMN2 (0.50) MAPTMEN1KMT2ASMN1; SMN2HTR6
SCHEMBL8630562 0.84 CCR4 (0.42) PPARAPI4KBPTGS2PTGS1
SCHEMBL8631448 0.84 SMN1; SMN2 (0.40) MAPTMEN1KMT2ASMN1; SMN2HTR6
SCHEMBL8629955 0.84 MAPT (0.46) MAPTMEN1KMT2ASMN1; SMN2PPARA
SCHEMBL8634271 0.84 PTGS2 (0.41) MAPTMEN1KMT2ASMN1; SMN2HTR6
SCHEMBL8629346 0.83 SMN1; SMN2 (0.47) MAPTMEN1KMT2ASMN1; SMN2PTGS2

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