SCHEMBL8630859

SCHEMBL8630859

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.44
PTGS1 P23219 1/20 0.41
POLB P06746 2/20 0.39
MAPT P10636 4/20 0.39
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
NR3C1 P04150 1/20 0.36
AR P10275 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8628839 0.94 EDNRB (0.41) PTGS2POLBMAPTEDNRBEDNRA
SCHEMBL8632202 0.91 MAPT (0.39) PTGS2POLBMAPTKDM4EMEN1
SCHEMBL8631576 0.91 MAPT (0.41) PTGS2POLBMAPTEDNRBEDNRA
SCHEMBL8628674 0.90 PTGS2 (0.44) PTGS2PTGS1POLBMAPTEDNRB
SCHEMBL8631393 0.88 KMT2A (0.42) POLBMAPTNPSR1MEN1KMT2A
SCHEMBL8629104 0.88 ALDH1A1 (0.36) PTGS2PTGS1POLBMAPTEDNRB
SCHEMBL8632376 0.87 MAPT (0.38) PTGS2MAPTKDM4EMEN1KMT2A
SCHEMBL8629118 0.86 PTGS2 (0.57) PTGS2PTGS1MAPTEDNRBEDNRA
SCHEMBL8635531 0.85 PTGS2 (0.50) PTGS2PTGS1POLBMAPTEDNRB
SCHEMBL8631722 0.84 PPARA (0.41) PTGS2PTGS1

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