SCHEMBL9876954

SCHEMBL9876954

Cc1ccc(-n2nc(-c3ccc(OCC(C)CN(C)C)cc3)c3cccnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.39
CCNA2 P20248 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PSMB5 P28074 4/20 0.35
PSMB1 P20618 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CDK4 P11802 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
Maleic Acid SCHEMBL9234293 0.92 CCNA2 (0.36) CDK2CCNA2L3MBTL1POLBPSMB5
Fumaric Acid SCHEMBL9234296 0.92 CCNA2 (0.36) CDK2CCNA2L3MBTL1POLBPSMB5
SCHEMBL9877611 0.92 CCNA2 (0.41) CDK2CCNA2PSMB5PSMB1MEN1
SCHEMBL9236551 0.90 GAA (0.35) CDK2CCNA2TP53GAARXFP1
SCHEMBL9876768 0.87 CCNA2 (0.40) CDK2CCNA2L3MBTL1POLBTP53
SCHEMBL9238567 0.86 MEN1 (0.35) CDK2CCNA2L3MBTL1TP53PSMB5
SCHEMBL9235835 0.86 TP53 (0.37) CDK2CCNA2POLBTP53GAA
Maleic Acid SCHEMBL9235074 0.85 PTGER1 (0.41) CDK2CCNA2PSMB5PSMB1MEN1
Fumaric Acid SCHEMBL9235079 0.85 PTGER1 (0.41) CDK2CCNA2PSMB5PSMB1MEN1
SCHEMBL9876652 0.83 LSS (0.44) CDK2CCNA2L3MBTL1PSMB5PSMB1

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