SCHEMBL9876892

SCHEMBL9876892

CN(C)CCNc1ccc(-n2nc(-c3ccccc3)c3cccnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.42
PTGER1 P34995 1/20 0.41
CYP2C19 P33261 1/20 0.40
CCNA2 P20248 4/20 0.39
CDK2 P24941 4/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 1/20 0.39
SLC2A1 P11166 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR9 Q9NR96 1/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
TOP2A P11388 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CDK7 P50613 1/20 0.38

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
SCHEMBL9235819 0.94 KDM4E (0.47) PTGER1CCNA2CDK2KDM4ERAB9A
SCHEMBL9877149 0.82 NAMPT (0.53) KAT2BCYP2C19KDM4EHPGDTLR9
SCHEMBL9876882 0.80 LSS (0.52) PTGER1CYP2C19CCNA2CDK2TOP2A
SCHEMBL9236247 0.78 KAT2B (0.44) KAT2BKDM4ERAB9AALDH1A1HPGD
SCHEMBL9876810 0.77 TNK2 (0.46) PTGER1CYP2C19CCNA2CDK2
Maleic Acid SCHEMBL9232273 0.76 NAMPT (0.52) KAT2BCYP2C19KDM4ERAB9AALDH1A1
Fumaric Acid SCHEMBL9232280 0.76 NAMPT (0.52) KAT2BCYP2C19KDM4ERAB9AALDH1A1
SCHEMBL9877191 0.76 ADORA3 (0.41) KAT2BCYP2C19POLB
SCHEMBL9876805 0.76 LMNA (0.44) RAB9AALDH1A1HPGD
SCHEMBL9234476 0.75 TNK2 (0.44) PTGER1CCNA2CDK2KDM4EALDH1A1

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