SCHEMBL8419334

SCHEMBL8419334

CCCCOC(=O)COc1nc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.47
NPSR1 Q6W5P4 5/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GPR55 Q9Y2T6 2/20 0.47
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
GLA P06280 1/20 0.40
HTT P42858 2/20 0.39
KAT6A Q92794 2/20 0.38

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 0.92 MEN1 (0.52) L3MBTL1NPSR1KMT2AMEN1GPR55
SCHEMBL8423084 0.89 NPSR1 (0.46) L3MBTL1NPSR1KMT2AMEN1GPR55
SCHEMBL8894050 0.88 MEN1 (0.48) L3MBTL1NPSR1KMT2AMEN1GPR55
SCHEMBL8423236 0.85 MEN1 (0.48) L3MBTL1NPSR1KMT2AMEN1GPR55
SCHEMBL8424590 0.84 NPSR1 (0.44) L3MBTL1NPSR1KMT2AMEN1GPR55
SCHEMBL8419332 0.84 ALDH1A1 (0.43) L3MBTL1NPSR1KMT2AMEN1GPR55
SCHEMBL8423218 0.83 HTT (0.50) NPSR1KMT2AMEN1KDM4EALDH1A1
SCHEMBL8421191 0.83 NPSR1 (0.43) L3MBTL1NPSR1KMT2AMEN1GPR55
SCHEMBL8419767 0.82 ALDH1A1 (0.42) L3MBTL1NPSR1KMT2AMEN1GPR55
SCHEMBL8419910 0.82 MCL1 (0.44) L3MBTL1NPSR1KMT2AMEN1GPR55

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed