SCHEMBL9876885

SCHEMBL9876885

CC(COc1cccc(-n2nc(-c3ccc(Cl)cc3)c3cccnc32)c1)CN(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SRC P12931 1/20 0.33
CXCR1 P25024 1/20 0.33
PDE4A P27815 1/20 0.33
KCNH2 Q12809 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
NTRK1 P04629 1/20 0.32
PIK3CD O00329 1/20 0.32

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
Maleic Acid SCHEMBL9234653 0.93 NPSR1 (0.38) CCNA2CDK2GAANPSR1KMT2A
Fumaric Acid SCHEMBL9234660 0.93 NPSR1 (0.38) CCNA2CDK2GAANPSR1KMT2A
SCHEMBL9876520 0.92 PTGER1 (0.38) CCNA2CDK2HIF1AMEN1KMT2A
SCHEMBL9876945 0.91 CCNA2 (0.37) CCNA2CDK2GAAHIF1AMEN1
SCHEMBL9877012 0.89 CCNA2 (0.39) CCNA2CDK2GAANPSR1MEN1
SCHEMBL9231716 0.88 CCNA2 (0.38) CCNA2CDK2GAANPSR1SRC
SCHEMBL9236551 0.87 GAA (0.35) CCNA2CDK2GAAMEN1KMT2A
Fumaric Acid SCHEMBL9237819 0.85 PTGER1 (0.40) CCNA2CDK2MEN1KMT2APDE4A
Maleic Acid SCHEMBL9237812 0.85 PTGER1 (0.40) CCNA2CDK2MEN1KMT2APDE4A
SCHEMBL9876897 0.85 KDM4E (0.42) CCNA2CDK2GAANPSR1SRC

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