SCHEMBL9876695

SCHEMBL9876695

Oc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cccnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 1/20 0.48
SRC P12931 1/20 0.43
ESR2 Q92731 1/20 0.43
PTGER1 P34995 1/20 0.42
PTGS2 P35354 4/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
ESR1 P03372 7/20 0.41
LMNA P02545 2/20 0.41
RARG P13631 1/20 0.41
RORC P51449 1/20 0.41
PTGS1 P23219 3/20 0.40
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL9876686 0.88 PTGER1 (0.50) CCNA2CDK2NPSR1GAASRC
SCHEMBL9876766 0.88 PTGER1 (0.53) CCNA2CDK2GAASRCESR2
SCHEMBL9877081 0.87 CCNA2 (0.49) CCNA2CDK2NPSR1ESR2PTGER1
SCHEMBL9876681 0.87 CCNA2 (0.49) CCNA2CDK2NPSR1GAAPTGER1
SCHEMBL9876798 0.86 CDK2 (0.51) CCNA2CDK2NPSR1GAASRC
SCHEMBL9876850 0.82 MAPT (0.47) CCNA2CDK2NPSR1GAAPTGER1
SCHEMBL9876899 0.77 CXCR1 (0.45) CCNA2CDK2NPSR1GAAMAPT
SCHEMBL9876833 0.75 NAMPT (0.54) PTGER1HPGDESR1
SCHEMBL10484556 0.74 PTGER1 (0.41) CCNA2CDK2NPSR1GAAPTGER1
SCHEMBL9876637 0.74 PTGER1 (0.50) CCNA2CDK2GAASRCPTGER1

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 2 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 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