SCHEMBL20329155

SCHEMBL20329155

CC[N+](CC)=c1ccc2nc3ccc(N(CCO)CCO)cc3oc-2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 2/20 0.39
PPARG P37231 2/20 0.39
BLM P54132 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
APP P05067 13/20 0.38
CYP1A2 P05177 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
APAF1 O14727 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCP2 P22307 1/20 0.33
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GSR P00390 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 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
SCHEMBL21614077 0.91 APAF1 (0.41) MEN1POLBKMT2AUSP2PPARG
SCHEMBL6128296 0.89 MEN1 (0.48) MEN1POLBKMT2AUSP2PPARG
SCHEMBL29461572 0.89 MEN1 (0.48) MEN1POLBKMT2AUSP2PPARG
Hydrochloric Acid SCHEMBL29356681 0.87 MEN1 (0.47) MEN1POLBKMT2AUSP2PPARG
SCHEMBL15397117 0.87 MEN1 (0.43) MEN1POLBKMT2AUSP2PPARG
SCHEMBL15215399 0.85 APAF1 (0.44) MEN1POLBKMT2AUSP2PPARG
SCHEMBL14294136 0.84 MEN1 (0.45) MEN1POLBKMT2AUSP2PPARG
Hydrochloric Acid SCHEMBL8725849 0.84 APAF1 (0.46) MEN1POLBKMT2AUSP2PPARG
SCHEMBL23675025 0.83 APP (0.40) MEN1POLBKMT2AUSP2PPARG
SCHEMBL18680529 0.81 MEN1 (0.50) MEN1POLBKMT2AUSP2PPARG

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-2018115154-A1 PROCESS FOR DYEING KERATIN FIBRES USING AT LEAST ONE PARTICULAR AZINIUM DYE AND AT LEAST ONE FLUORESCENT DYE L'OREAL (FR) 2018-06-28 WO disclosed