SCHEMBL6647178

SCHEMBL6647178

Cc1nn(-c2ccccc2)c2nccc(NN)c12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NR3C1 P04150 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL1059298 0.79 GSK3B (0.49) KDM4EHPGDALDH1A1CCNA2CDK2
SCHEMBL1059295 0.79 GSK3B (0.49) KDM4EHPGDALDH1A1CCNA2CDK2
SCHEMBL20413674 0.79 KDM4E (0.56) KDM4EHPGDALDH1A1CCNA2CDK2
SCHEMBL20413680 0.75 CYP1A2 (0.64) KDM4EHPGDALDH1A1CCNA2CDK2
SCHEMBL1055994 0.75 KDM4E (0.47) KDM4EALDH1A1HSD17B10NR3C1SMN1; SMN2
SCHEMBL1058015 0.75 KDM4E (0.49) KDM4EHPGDALDH1A1CCNA2CDK2
SCHEMBL1055993 0.75 KDM4E (0.47) KDM4EALDH1A1HSD17B10NR3C1SMN1; SMN2
SCHEMBL1058014 0.75 KDM4E (0.49) KDM4EHPGDALDH1A1CCNA2CDK2
SCHEMBL1058558 0.73 GSK3B (0.55) KDM4EHPGDALDH1A1CCNA2CDK2
SCHEMBL1058560 0.73 GSK3B (0.55) KDM4EHPGDALDH1A1CCNA2CDK2

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
EP-1417349-A2 NOVEL MOLECULAR TARGET FOR NEUROTOXICITY Exonhit Therapeutics S.A. (FR) 2004-05-12 EP disclosed
WO-2003016563-A2 NOVEL MOLECULAR TARGET FOR NEUROTOXICITY EXONHIT THERAPEUTICS SA (FR) 2003-02-27 WO disclosed