SCHEMBL6926686

SCHEMBL6926686

Nc1ccc(OCCO)c(N)c1.Nc1cccc(N(CCO)CCO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
PRSS1 P07477 8/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
NCF1 P14598 1/20 0.34
IDO1 P14902 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32

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
SCHEMBL35916 0.81 MAPT (0.65) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL94021 0.81 CYP3A4 (0.42) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL29375628 0.81 CYP3A4 (0.42) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL29358757 0.81 MAPT (0.65) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL6926684 0.81 TP53 (0.46) MEN1MAPTKMT2AKDM4EUSP2
Hydrochloric Acid SCHEMBL29356501 0.80 GAA (0.68) MEN1MAPTKMT2AKDM4EUSP2
Ammonia Solution, Strong SCHEMBL27977263 0.80 MAPT (0.62) MEN1MAPTKMT2AKDM4EUSP2
Hydrochloric Acid SCHEMBL1453993 0.80 GAA (0.68) MEN1MAPTKMT2AKDM4EUSP2
Hydrochloric Acid SCHEMBL29378616 0.80 GAA (0.68) MEN1MAPTKMT2AKDM4EUSP2
Hydrochloric Acid SCHEMBL33976 0.80 GAA (0.68) MEN1MAPTKMT2AKDM4EUSP2

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
WO-2003075871-A1 METHOD OF GRADUAL PERMANENT COLORING OF HAIR UNILEVER PLC (GB) 2003-09-18 WO claimed
WO-2003075870-A1 GRADUAL PERMANENT COLOURING OF HAIR USING DYE INTERMEDIATES DISSOLVED IN ALKALINE AQUEOUS MEDIUM COMPRISING A GELLING AGENT UNILEVER PLC (GB) 2003-09-18 WO claimed
WO-2003075870-A1 GRADUAL PERMANENT COLOURING OF HAIR USING DYE INTERMEDIATES DISSOLVED IN ALKALINE AQUEOUS MEDIUM COMPRISING A GELLING AGENT UNILEVER PLC (GB) 2003-09-18 WO disclosed