SCHEMBL9876520

SCHEMBL9876520

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.38
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
SLC16A3 O15427 3/20 0.37
SLC16A1 P53985 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.36
PDE4A P27815 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK1 P28482 2/20 0.35
GBA1 P04062 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 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 SCHEMBL9237812 0.93 PTGER1 (0.40) PTGER1CCNA2CDK2SLC16A3SLC16A1
Fumaric Acid SCHEMBL9237819 0.93 PTGER1 (0.40) PTGER1CCNA2CDK2SLC16A3SLC16A1
SCHEMBL9876945 0.92 CCNA2 (0.37) CCNA2CDK2MEN1KMT2AHIF1A
SCHEMBL9876885 0.92 CCNA2 (0.37) CCNA2CDK2MEN1KMT2AHIF1A
SCHEMBL9877611 0.90 CCNA2 (0.41) PTGER1CCNA2CDK2MEN1KMT2A
SCHEMBL9876523 0.88 PTGER1 (0.39) PTGER1CCNA2CDK2SLC16A3SLC16A1
SCHEMBL9236551 0.88 GAA (0.35) CCNA2CDK2MEN1KMT2ATSHR
SCHEMBL9877014 0.87 PTGER1 (0.41) PTGER1CCNA2CDK2PDE4AKCNH2
SCHEMBL9877134 0.87 TP53 (0.36) PTGER1SLC16A3SLC16A1MEN1KMT2A
Fumaric Acid SCHEMBL9234660 0.86 NPSR1 (0.38) PTGER1CCNA2CDK2SLC16A3SLC16A1

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 4 patents. 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 claimed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP claimed
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed
EP-0338087-A1 FUSED PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-10-25 EP disclosed