SCHEMBL9876897

SCHEMBL9876897

CN(C)CCOc1cccc(-n2nc(-c3ccc(Cl)cc3)c3cccnc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
TNK2 Q07912 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AGER Q15109 2/20 0.38
GSK3B P49841 1/20 0.38
ACHE P22303 1/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
BTK Q06187 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
USP1 O94782 1/20 0.36

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
SCHEMBL9876856 0.95 KDM4E (0.43) KDM4ECCNA2CDK2GAANPSR1
SCHEMBL9877072 0.93 GSK3B (0.43) CHRNB2CHRNA4TNK2GSK3BFGFR1
Fumaric Acid SCHEMBL9236149 0.92 KDM4E (0.45) KDM4ECCNA2CDK2CHRNB2CHRNA4
Maleic Acid SCHEMBL9236144 0.92 KDM4E (0.45) KDM4ECCNA2CDK2CHRNB2CHRNA4
SCHEMBL9234476 0.91 TNK2 (0.44) KDM4ECCNA2CDK2CHRNB2CHRNA4
SCHEMBL9876909 0.88 LSS (0.44) KDM4EGSK3BFGFR1SRCSMN1; SMN2
Fumaric Acid SCHEMBL9234458 0.88 KDM4E (0.46) KDM4ECCNA2CDK2GAANPSR1
Fumaric Acid SCHEMBL9234452 0.88 KDM4E (0.46) KDM4ECCNA2CDK2GAANPSR1
SCHEMBL9231684 0.85 ALOX5 (0.42) KDM4ECCNA2CDK2GAAPOLB
Fumaric Acid SCHEMBL9233740 0.85 BTK (0.42) KDM4ECHRNB2CHRNA4TNK2GSK3B

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-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed