SCHEMBL9877611

SCHEMBL9877611

CC(COc1ccc(-n2nc(-c3ccccc3)c3cccnc32)cc1)CN(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.41
CDK2 P24941 6/20 0.41
PTGER1 P34995 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PSMB5 P28074 5/20 0.38
PSMB1 P20618 2/20 0.38
MDM2 Q00987 1/20 0.35
MCL1 Q07820 1/20 0.35
GBA1 P04062 1/20 0.35
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
GRM5 P41594 1/20 0.34

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
Fumaric Acid SCHEMBL9235079 0.93 PTGER1 (0.41) CCNA2CDK2PTGER1MEN1KMT2A
Maleic Acid SCHEMBL9235074 0.93 PTGER1 (0.41) CCNA2CDK2PTGER1MEN1KMT2A
SCHEMBL9876954 0.92 CDK2 (0.39) CCNA2CDK2MEN1KMT2APSMB5
SCHEMBL9876520 0.90 PTGER1 (0.38) CCNA2CDK2PTGER1MEN1KMT2A
Maleic Acid SCHEMBL9234293 0.87 CCNA2 (0.36) CCNA2CDK2PTGER1MEN1KMT2A
Fumaric Acid SCHEMBL9234296 0.87 CCNA2 (0.36) CCNA2CDK2PTGER1MEN1KMT2A
SCHEMBL9238567 0.86 MEN1 (0.35) CCNA2CDK2PTGER1MEN1KMT2A
SCHEMBL9236551 0.85 GAA (0.35) CCNA2CDK2MEN1KMT2APSMB5
Maleic Acid SCHEMBL9237812 0.84 PTGER1 (0.40) CCNA2CDK2PTGER1MEN1KMT2A
Fumaric Acid SCHEMBL9237819 0.84 PTGER1 (0.40) CCNA2CDK2PTGER1MEN1KMT2A

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