SCHEMBL8894050

SCHEMBL8894050

CCCCCCOc1nc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
GPR55 Q9Y2T6 2/20 0.45
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
PIK3CD O00329 1/20 0.42
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL8420941 0.96 MEN1 (0.52) MEN1KMT2AL3MBTL1NPSR1GPR55
SCHEMBL8423236 0.90 MEN1 (0.48) MEN1KMT2AL3MBTL1NPSR1GPR55
SCHEMBL8419334 0.88 L3MBTL1 (0.47) MEN1KMT2AL3MBTL1NPSR1GPR55
SCHEMBL8419910 0.88 MCL1 (0.44) MEN1KMT2AL3MBTL1NPSR1GPR55
SCHEMBL8419332 0.88 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1NPSR1GPR55
SCHEMBL8896031 0.88 CACNA1H (0.44) MEN1KMT2AL3MBTL1NPSR1GPR55
SCHEMBL8419767 0.86 ALDH1A1 (0.42) MEN1KMT2AL3MBTL1NPSR1GPR55
SCHEMBL8419290 0.85 CNR1 (0.48) MEN1KMT2AL3MBTL1NPSR1GPR55
SCHEMBL8421502 0.85 CNR1 (0.51) MEN1KMT2AL3MBTL1NPSR1GPR55
SCHEMBL8423073 0.85 STAT3 (0.48) MEN1KMT2AL3MBTL1NPSR1GPR55

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-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed