SCHEMBL6926684

SCHEMBL6926684

CC(O)N(c1cccc(N)c1)C(C)O.Nc1ccc(OCCO)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
CYP2C19 P33261 2/20 0.34
PRSS1 P07477 8/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
IDO1 P14902 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL6926686 0.81 MEN1 (0.46) TP53ALDH1A1GAAPOLBMAPT
SCHEMBL3172082 0.78 CYP3A4 (0.42) TP53ALDH1A1KDM4ECASP1PRSS1
SCHEMBL35916 0.78 MAPT (0.65) TP53ALDH1A1GAAPOLBMAPT
SCHEMBL29358757 0.78 MAPT (0.65) TP53ALDH1A1GAAPOLBMAPT
SCHEMBL14321346 0.78 CYP3A4 (0.42) TP53ALDH1A1KDM4ECASP1PRSS1
Hydrochloric Acid SCHEMBL1453993 0.77 GAA (0.68) TP53ALDH1A1GAAPOLBMAPT
Ammonia Solution, Strong SCHEMBL27977263 0.77 MAPT (0.62) TP53ALDH1A1GAAPOLBMAPT
Hydrochloric Acid SCHEMBL29356501 0.77 GAA (0.68) TP53ALDH1A1GAAPOLBMAPT
Hydrochloric Acid SCHEMBL29378616 0.77 GAA (0.68) TP53ALDH1A1GAAPOLBMAPT
Hydrochloric Acid SCHEMBL33976 0.77 GAA (0.68) TP53ALDH1A1GAAPOLBMAPT

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