SCHEMBL9876523

SCHEMBL9876523

CC(COc1cccc(-n2nc(-c3ccccc3)c3cccnc32)c1)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.39
GBA1 P04062 1/20 0.39
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
PDE4A P27815 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC16A3 O15427 2/20 0.38
SLC16A1 P53985 2/20 0.38
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TOP1 P11387 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL9877691 0.91 CCNA2 (0.39) CCNA2CDK2PDE4AKCNH2MEN1
SCHEMBL9877012 0.91 CCNA2 (0.39) CCNA2CDK2PDE4AKCNH2MEN1
SCHEMBL9876520 0.88 PTGER1 (0.38) PTGER1GBA1CCNA2CDK2PDE4A
SCHEMBL9234476 0.83 TNK2 (0.44) PTGER1CCNA2CDK2
SCHEMBL9877014 0.83 PTGER1 (0.41) PTGER1GBA1CCNA2CDK2PDE4A
Fumaric Acid SCHEMBL9237819 0.82 PTGER1 (0.40) PTGER1CCNA2CDK2PDE4AKCNH2
Maleic Acid SCHEMBL9237812 0.82 PTGER1 (0.40) PTGER1CCNA2CDK2PDE4AKCNH2
SCHEMBL9876903 0.81 CCNA2 (0.53) PTGER1CCNA2CDK2MAPK1TSHR
SCHEMBL9876945 0.80 CCNA2 (0.37) CCNA2CDK2PDE4AKCNH2MEN1
SCHEMBL9876885 0.80 CCNA2 (0.37) CCNA2CDK2PDE4AKCNH2MEN1

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