SCHEMBL8630567

SCHEMBL8630567

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.41
EDNRA P25101 3/20 0.41
KDM1A O60341 6/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
NAT1 P18440 1/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CCR2 P41597 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL8631537 0.93 EDNRB (0.41) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL8628674 0.91 PTGS2 (0.44) EDNRBEDNRAMEN1KMT2ALMNA
SCHEMBL8631576 0.90 MAPT (0.41) EDNRBEDNRAKDM1AMEN1KMT2A
SCHEMBL8630980 0.90 KMT2A (0.39) EDNRBEDNRAMEN1KMT2ALMNA
SCHEMBL8629114 0.87 ALDH1A1 (0.36) EDNRBEDNRAMEN1KMT2AMAPT
SCHEMBL8631944 0.87 KMT2A (0.44) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL8630539 0.87 PTGS2 (0.46) EDNRBEDNRAKDM1AMEN1KMT2A
SCHEMBL8629982 0.87 EDNRB (0.43) EDNRBEDNRAKDM1AMEN1KMT2A
SCHEMBL8628100 0.87 ERBB2 (0.37) KDM1AMEN1KMT2AMAPTPOLB
SCHEMBL8629761 0.84 PTGS2 (0.48) EDNRBEDNRAKDM1AMEN1KMT2A

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