SCHEMBL8627799

SCHEMBL8627799

C=CCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.49
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 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

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
SCHEMBL8631550 0.94 PTGS2 (0.58) PTGS2EDNRBEDNRAMEN1KMT2A
SCHEMBL8629761 0.93 PTGS2 (0.48) PTGS2EDNRBEDNRAMEN1KMT2A
SCHEMBL8631337 0.93 PTGS2 (0.50) PTGS2EDNRBEDNRAMEN1KMT2A
SCHEMBL8635116 0.90 PTGS2 (0.48) PTGS2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8634392 0.90 PTGS2 (0.48) PTGS2EDNRBEDNRAMEN1KMT2A
SCHEMBL8631097 0.86 PTGS2 (0.43) PTGS2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8628753 0.86 PTGS2 (0.46) PTGS2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8632875 0.85 SMN1; SMN2 (0.50) PTGS2EDNRBEDNRAMEN1KMT2A
SCHEMBL8629864 0.85 PTGS2 (0.42) PTGS2EDNRAMEN1KMT2ASMN1; SMN2
SCHEMBL8631151 0.85 MEN1 (0.41) PTGS2EDNRBEDNRAMEN1KMT2A

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