SCHEMBL19003852

SCHEMBL19003852

OCCN(CCO)c1ccc(/C=C/c2cccc[n+]2CCO)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
RAB9A P51151 5/20 0.52
KMT2A Q03164 5/20 0.52
NPC1 O15118 3/20 0.52
KDM4A O75164 2/20 0.52
KDM2A Q9Y2K7 2/20 0.52
APOBEC3A P31941 2/20 0.52
APOBEC3G Q9HC16 2/20 0.52
GFER P55789 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
STAT3 P40763 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
APP P05067 2/20 0.40
POLB P06746 2/20 0.38
PABPC1 P11940 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
INSR P06213 2/20 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
Hydrochloric Acid SCHEMBL18986841 0.99 MEN1 (0.51) MEN1RAB9AKMT2ANPC1KDM4A
Hydrochloric Acid SCHEMBL18986839 0.99 MEN1 (0.51) MEN1RAB9AKMT2ANPC1KDM4A
SCHEMBL12219545 0.91 MEN1 (0.49) MEN1RAB9AKMT2ANPC1KDM4A
SCHEMBL10104240 0.90 MEN1 (0.48) MEN1RAB9AKMT2ANPC1KDM4A
SCHEMBL15587191 0.89 MEN1 (0.47) MEN1RAB9AKMT2ANPC1KDM4A
SCHEMBL19649082 0.88 KDM4A (0.55) MEN1RAB9AKMT2ANPC1KDM4A
SCHEMBL12658264 0.88 MEN1 (0.49) MEN1RAB9AKMT2ANPC1KDM4A
SCHEMBL10104563 0.85 KDM4A (0.52) MEN1RAB9AKMT2ANPC1KDM4A
SCHEMBL12215965 0.85 KMT2A (0.44) MEN1RAB9AKMT2ANPC1KDM4A
SCHEMBL10104073 0.83 KDM4A (0.50) MEN1RAB9AKMT2ANPC1KDM4A

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
WO-2017103038-A2 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A STYRYL OR NAPHTHYLAMIDE DIRECT DYE BEARING A HYDROXYALKYL FUNCTION, DYEING PROCESS AND DYE L'OREAL (FR) 2017-06-22 WO disclosed