SCHEMBL9256683

SCHEMBL9256683

N#Cc1ccccc1-c1ccc(Cc2c(COCc3ccccc3)nc3ccnn3c2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.45
ESR2 Q92731 1/20 0.39
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
GBA1 P04062 1/20 0.37
UGCG Q16739 1/20 0.37
GBA2 Q9HCG7 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
GHSR Q92847 2/20 0.35
AXL P30530 1/20 0.35
FLT3 P36888 1/20 0.35
MERTK Q12866 1/20 0.35
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
FPR1 P21462 1/20 0.33

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
SCHEMBL9258548 0.89 ESR2 (0.40) EGLN1ESR2FFAR1AKR1B1GBA1
SCHEMBL9255943 0.85 EGLN1 (0.46) EGLN1ESR2FFAR1AKR1B1GBA1
SCHEMBL7312739 0.84 PPARG (0.45) ESR2GSK3AGSK3BAXLFLT3
SCHEMBL9257925 0.83 PPARG (0.41) ESR2GSK3AGSK3BPPARG
SCHEMBL902910 0.81 NPC1 (0.40) EGLN1ESR2GHSRCCNE1CDK2
SCHEMBL9256116 0.74 EGLN1 (0.46) EGLN1ESR2FFAR1AKR1B1GBA1
SCHEMBL6960030 0.74 ESR2 (0.59) EGLN1ESR2FFAR1AKR1B1GBA1
SCHEMBL9262231 0.74 PPARG (0.46) GSK3AGSK3BAXLFLT3MERTK
SCHEMBL9262125 0.74 AXL (0.41) EGLN1ESR2GSK3AGSK3BAXL
SCHEMBL9260186 0.73 PPARG (0.43) GSK3AGSK3BAXLFLT3MERTK

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-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed