SCHEMBL11054895

SCHEMBL11054895

O=C(O)c1c(N2C=NCC2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
GLA P06280 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
METAP2 P50579 2/20 0.38
METAP1 P53582 1/20 0.38
WDR5 P61964 1/20 0.37
LDHA P00338 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
RCE1 Q9Y256 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
CDC25B P30305 1/20 0.36

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
SCHEMBL9675608 0.74 L3MBTL1 (0.39) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL9246333 0.71 ALDH1A1 (0.46) KDM4EALDH1A1GLAHPGDMEN1
SCHEMBL9245601 0.69 NPC1 (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29472021 0.68 KDM4E (0.44) KDM4EALDH1A1HSD17B10GLAHPGD
SCHEMBL344095 0.67 HSD17B10 (0.59) KDM4EALDH1A1HSD17B10GLAHPGD
SCHEMBL4958730 0.67 ALDH1A1 (0.59) KDM4EALDH1A1HSD17B10GLAHPGD
SCHEMBL7849003 0.67 KDM4E (0.42) KDM4EALDH1A1HSD17B10GLAHPGD
SCHEMBL1661024 0.66 HSD17B10 (0.63) KDM4EALDH1A1HSD17B10GLAHPGD
SCHEMBL4268 0.65 ALDH1A1 (0.61) KDM4EALDH1A1HSD17B10GLAHPGD
SCHEMBL1809752 0.65 HSD17B10 (0.61) KDM4EALDH1A1HSD17B10GLAHPGD

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-4554013-A Herbicidal imidazolinyl naphthoic acids AMERICAN CYANAMID COMPANY (US) 1985-11-19 US disclosed