SCHEMBL8628674

SCHEMBL8628674

C#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
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
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 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
SCHEMBL8631537 0.94 EDNRB (0.41) PTGS2EDNRBEDNRAKDM4ERXFP1
SCHEMBL8630980 0.91 KMT2A (0.39) PTGS2PTGS1EDNRBEDNRAKDM4E
SCHEMBL8630567 0.91 EDNRB (0.41) PTGS2EDNRBEDNRAKDM4ERXFP1
SCHEMBL8630859 0.90 PTGS2 (0.44) PTGS2PTGS1EDNRBEDNRANR3C1
SCHEMBL8629114 0.88 ALDH1A1 (0.36) PTGS2PTGS1EDNRBEDNRAKDM4E
SCHEMBL8631944 0.88 KMT2A (0.44) MAPTNPSR1POLBMEN1KMT2A
SCHEMBL8632158 0.87 MAPT (0.38) PTGS2KDM4EMAPTMEN1KMT2A
SCHEMBL8629118 0.86 PTGS2 (0.57) PTGS2PTGS1EDNRBEDNRANR3C1
SCHEMBL8635531 0.85 PTGS2 (0.50) PTGS2PTGS1EDNRBEDNRAAR
SCHEMBL8629013 0.84 PPARA (0.39) PTGS2PTGS1MAPTHTT

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