SCHEMBL20280709

SCHEMBL20280709

CN(C)c1ccc(Nc2cc(Nc3ccc(NCCCn4ccnc4)cc3)c(O)cc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 11/20 0.52
KMT2A Q03164 3/20 0.41
SOD1 P00441 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL24349153 0.90 TOP1 (0.43) QPCTKMT2ASOD1NPC1RAB9A
SCHEMBL24349579 0.88 QPCT (0.41) QPCTKMT2ASOD1NPC1RAB9A
SCHEMBL20280623 0.85 QPCT (0.48) QPCTKMT2ASOD1NPC1RAB9A
SCHEMBL24348970 0.83 QPCT (0.33) QPCTKMT2ANPC1RAB9AMEN1
SCHEMBL29423621 0.79 APP (0.31)
SCHEMBL20280485 0.75 MEN1 (0.35) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL4173553 0.75 QPCT (0.60) QPCTKMT2ASOD1NPC1RAB9A
SCHEMBL2539814 0.73 SOD1 (0.57) QPCTKMT2ASOD1NPC1RAB9A
SCHEMBL20280498 0.73 MEN1 (0.30) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL20280488 0.73 MEN1 (0.34) KMT2ANPC1RAB9AMEN1MAPT

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-2018109192-A1 NOVEL AZOMETHINE DIRECT DYES BEARING AT LEAST ONE CATIONIC CHARGE, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2018-06-21 WO disclosed