SCHEMBL18155945

SCHEMBL18155945

Nc1ccc(NNc2cccc[n+]2[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
APP P05067 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
SNCA P37840 1/20 0.36
BLM P54132 1/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL9226811 0.73 MAPT (0.71) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL4422618 0.72 MAPT (0.57) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL1620966 0.71
SCHEMBL14819034 0.67 ALDH1A1 (0.86) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL28045297 0.67 TDP1 (0.64) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL5076504 0.67
SCHEMBL6099916 0.67 HSD17B10 (0.44) MAPTALDH1A1HTTCYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL3565750 0.67 HSD17B10 (0.44) MAPTALDH1A1HTTL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL3564061 0.65 HSD17B10 (0.43) MAPTALDH1A1HTTCYP3A4SMN1; SMN2
SCHEMBL23161875 0.64 MAPT (0.67) MAPTALDH1A1HTTL3MBTL1CYP3A4

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
EP-0970685-B2 Composition for dyeing keratinous fibres containing a cationic direct dye and a thickening polymer ORÉAL L (FR) 2016-10-19 EP disclosed