SCHEMBL5694433

SCHEMBL5694433

Cc1cc(CCO)c(N)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
CYP1A2 P05177 1/20 0.61
ALOX15 P16050 1/20 0.61
CASP7 P55210 1/20 0.61
HIF1A Q16665 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CYP3A4 P08684 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
TERT O14746 1/20 0.39
TDP1 Q9NUW8 3/20 0.33
CASP1 P29466 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SKP2 Q13309 1/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 4/20 0.32
ATAD2 Q6PL18 1/20 0.31
UHRF1 Q96T88 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL29634741 0.91 ALDH1A1 (0.50) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL94261 0.91 ALDH1A1 (0.50) ALDH1A1CYP1A2ALOX15CASP7HIF1A
Hydrochloric Acid SCHEMBL7861014 0.89 ALDH1A1 (0.48) ALDH1A1CYP1A2ALOX15CASP7HIF1A
Hydrochloric Acid SCHEMBL7861016 0.89 ALDH1A1 (0.48) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL16932994 0.84 ALDH1A1 (0.37) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL23642752 0.82 ALDH1A1 (0.67) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL29265971 0.81 PTK2 (0.42) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL6575833 0.79 ALDH1A1 (0.38) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3342948 0.78 ALDH1A1 (0.41) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL31403341 0.77 ALDH1A1 (1.00) ALDH1A1CYP1A2ALOX15CASP7HIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300135-B1 Agent for dyeing keratinous fibres comprising 2-aryliden-indolin-3-one derivatives HENKEL KGAA (DE) 2006-05-03 EP claimed
EP-1239817-B1 USE OF METHYLCHINOLINIUM COMPOUNDS FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2006-04-19 EP claimed
EP-2468243-A1 HAIR DYEING METHOD Kao Corporation (JP) 2012-06-27 EP disclosed