SCHEMBL8629013

SCHEMBL8629013

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.39
PI4KB Q9UBF8 4/20 0.37
HTR6 P50406 1/20 0.37
PTGS2 P35354 5/20 0.36
PTGS1 P23219 4/20 0.36
ERAP1 Q9NZ08 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
NAAA Q02083 1/20 0.36
SCN9A Q15858 1/20 0.36
MAPT P10636 1/20 0.36
ACLY P53396 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
SCHEMBL8631722 0.91 PPARA (0.41) PPARAPI4KBHTR6PTGS2PTGS1
SCHEMBL8627950 0.91 MAPT (0.38) PPARAPI4KBHTR6PTGS2PTGS1
SCHEMBL8631745 0.89 PTGS2 (0.41) PPARAPI4KBHTR6PTGS2PTGS1
SCHEMBL8632158 0.89 MAPT (0.38) PTGS2MAPT
SCHEMBL8630562 0.88 CCR4 (0.42) PPARAPI4KBPTGS2PTGS1
SCHEMBL8631944 0.87 KMT2A (0.44) CYP2C9MAPT
SCHEMBL8631761 0.86 PTGS2 (0.44) PPARAPI4KBHTR6PTGS2PTGS1
SCHEMBL8630945 0.85 PPARA (0.39) PPARAPI4KBHTR6PTGS2PTGS1
SCHEMBL8635104 0.85 PPARA (0.39) PPARAPI4KBHTR6PTGS2PTGS1
SCHEMBL8629545 0.85 NPC1 (0.41) PPARAHTR6PTGS2PTGS1ERAP1

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