SCHEMBL9258548

SCHEMBL9258548

COCc1nc2ccnn2c(O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
MERTK Q12866 1/20 0.37
GSK3A P49840 4/20 0.37
GSK3B P49841 4/20 0.37
EGLN1 Q9GZT9 1/20 0.36
PPARG P37231 2/20 0.36
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP19A1 P11511 2/20 0.33
AURKA O14965 1/20 0.33
GBA1 P04062 1/20 0.33
UGCG Q16739 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
SCHEMBL9256683 0.89 EGLN1 (0.45) ESR2AXLFLT3MERTKGSK3A
SCHEMBL7312739 0.88 PPARG (0.45) ESR2AXLFLT3MERTKGSK3A
SCHEMBL9257925 0.86 PPARG (0.41) ESR2GSK3AGSK3BPPARG
SCHEMBL9250123 0.84 ESR2 (0.39) ESR2EGLN1PPARGFFAR1AKR1B1
SCHEMBL9260186 0.79 PPARG (0.43) AXLFLT3MERTKGSK3AGSK3B
SCHEMBL902390 0.78 PDE10A (0.35) KDM4EALDH1A1LMNAMAPK1PRKAG1
SCHEMBL9262125 0.77 AXL (0.41) ESR2AXLFLT3MERTKGSK3A
SCHEMBL9262231 0.77 PPARG (0.46) AXLFLT3MERTKGSK3AGSK3B
SCHEMBL7320243 0.76 PPARG (0.47) AXLFLT3MERTKGSK3AGSK3B
SCHEMBL9260088 0.76 PPARG (0.47) ESR2AXLFLT3MERTKGSK3A

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