SCHEMBL8628839

SCHEMBL8628839

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
PTGS2 P35354 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HSD11B1 P28845 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL8630859 0.94 PTGS2 (0.44) EDNRBEDNRAMAPTPTGS2MEN1
SCHEMBL8632202 0.93 MAPT (0.39) SMN1; SMN2MAPTALDH1A1PTGS2MEN1
SCHEMBL8631576 0.93 MAPT (0.41) EDNRBEDNRAMAPTALDH1A1PTGS2
SCHEMBL8631393 0.90 KMT2A (0.42) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL8629104 0.90 ALDH1A1 (0.36) EDNRBEDNRASMN1; SMN2MAPTALDH1A1
SCHEMBL8631537 0.89 EDNRB (0.41) EDNRBEDNRASMN1; SMN2MAPTALDH1A1
SCHEMBL8629408 0.86 MAPT (0.41) SMN1; SMN2MAPTALDH1A1TSHRPTGS2
SCHEMBL8632376 0.86 MAPT (0.38) SMN1; SMN2MAPTALDH1A1TSHRPTGS2
SCHEMBL8632875 0.85 SMN1; SMN2 (0.50) EDNRBEDNRASMN1; SMN2MAPTALDH1A1
SCHEMBL8631722 0.84 PPARA (0.41) PTGS2

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