SCHEMBL11057550

SCHEMBL11057550

Nc1c2ccccc2nc2ccc(Cl)cc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
GLA P06280 2/20 0.67
HPGD P15428 2/20 0.67
CASP1 P29466 2/20 0.67
CASP7 P55210 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HSD17B10 Q99714 2/20 0.67
MAOA P21397 2/20 0.67
CHRM2 P08172 1/20 0.67
ADRA2A P08913 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CHRM1 P11229 1/20 0.67
NQO2 P16083 1/20 0.67
DRD1 P21728 1/20 0.67
SLC6A2 P23975 1/20 0.67
ADRA1A P35348 1/20 0.67
OPRM1 P35372 1/20 0.67
KCNH2 Q12809 1/20 0.67

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
SCHEMBL7795994 0.89 ACHE (0.67) ACHEKDM4EALDH1A1GLAHPGD
SCHEMBL11780381 0.82 MAOA (0.75) KDM4EALDH1A1HPGDSMN1; SMN2MAOA
Aminacrine SCHEMBL29354393 0.82 HSD17B10 (1.00) ACHEKDM4EALDH1A1GLAHPGD
Aminacrine SCHEMBL14999 0.82 HSD17B10 (1.00) ACHEKDM4EALDH1A1GLAHPGD
SCHEMBL4154837 0.81 KDM4E (0.72) ACHEKDM4EALDH1A1GLAHPGD
Aminacrine SCHEMBL14482032 0.80 HSD17B10 (0.95) ACHEKDM4EALDH1A1GLAHPGD
Aminacrine SCHEMBL31237441 0.80 RAB9A (1.00) ACHEKDM4EALDH1A1GLAHPGD
Aminacrine SCHEMBL18989123 0.80 HSD17B10 (0.95) ACHEKDM4EALDH1A1GLAHPGD
Aminacrine SCHEMBL635597 0.80 RAB9A (1.00) ACHEKDM4EALDH1A1GLAHPGD
Aminacrine SCHEMBL4907467 0.80 HSD17B10 (0.95) ACHEKDM4EALDH1A1GLAHPGD

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-4462993-A REACTION WITH A SUGAR IN PRESENCE OF ACID CATALYST BIOGAL GYOGYSZERGYAR (HU) 1984-07-31 US disclosed