SCHEMBL6120949

SCHEMBL6120949

CNC(=O)c1c(-c2ccc(F)cc2)nn2cc(N(Cc3ccccc3)S(C)(=O)=O)c(OC)cc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
NTSR1 P30989 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MEN1 O00255 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6121001 0.92 SMN1; SMN2 (0.43) L3MBTL1ALDH1A1CYP3A4SMN1; SMN2KMT2A
SCHEMBL9911862 0.87 MEN1 (0.35) KMT2AMEN1
SCHEMBL1936885 0.86 CYP19A1 (0.40) L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL15941946 0.84 CYP19A1 (0.48)
SCHEMBL6121075 0.83 CYP2C9 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL2466939 0.81
SCHEMBL1936371 0.80 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19
SCHEMBL6120945 0.80 ACLY (0.39) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL2464839 0.78 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19
SCHEMBL12164724 0.77 KEAP1 (0.38) ALDH1A1LMNA

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
WO-2012067664-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed