SCHEMBL11264649

SCHEMBL11264649

Cc1ccc(NCCO)cc1N.[Pb]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HTT P42858 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
CASP1 P29466 1/20 0.41
MAPT P10636 5/20 0.39
CYP3A4 P08684 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
MMP14 P50281 1/20 0.38
BLM P54132 1/20 0.38
CASP6 P55212 1/20 0.38
SLC2A1 P11166 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 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
SCHEMBL11443275 0.98 ALDH1A1 (0.54) ALDH1A1HTTTDP1CASP1MAPT
SCHEMBL6227906 0.88 ALDH1A1 (0.71) ALDH1A1HTTTDP1CASP1
SCHEMBL6228833 0.88 ALDH1A1 (0.71) ALDH1A1HTTTDP1CASP1
SCHEMBL6342530 0.84 ALDH1A1 (0.54) ALDH1A1HTTTDP1MAPTCYP3A4
SCHEMBL15928722 0.81 ALDH1A1 (0.43) ALDH1A1HTTTDP1CASP1MAPT
SCHEMBL20624882 0.81 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4KDM4ESMN1; SMN2
SCHEMBL4466255 0.81 ALDH1A1 (0.76) ALDH1A1HTTTDP1MAPTCYP3A4
SCHEMBL29262271 0.79 ABL1 (0.53) ALDH1A1HTTTDP1CASP1
SCHEMBL8159092 0.79 ALDH1A1 (0.49) ALDH1A1HTTTDP1CASP1MAPT
SCHEMBL2455817 0.79 ALDH1A1 (0.49) ALDH1A1HTTTDP1CASP1MAPT

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
US-4329504-A COUPLERS FOR DYES, HAIR DYES SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-11 US disclosed
US-4125367-A FOR KERATINIC FIBERS L'OREAL (FR) 1978-11-14 US disclosed