SCHEMBL24349153

SCHEMBL24349153

Nc1ccc(Nc2cc(Nc3ccc(NCCCn4ccnc4)cc3)c(O)cc2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.43
QPCT Q16769 7/20 0.43
SOD1 P00441 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.40
SCN9A Q15858 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL20280709 0.90 QPCT (0.52) QPCTSOD1NPC1RAB9AATM
SCHEMBL20280623 0.88 QPCT (0.48) TOP1QPCTSOD1NPC1RAB9A
SCHEMBL24349579 0.88 QPCT (0.41) TOP1QPCTSOD1NPC1RAB9A
SCHEMBL2539814 0.83 SOD1 (0.57) QPCTSOD1NPC1RAB9AATM
Hydrochloric Acid SCHEMBL5191266 0.82 SOD1 (0.56) QPCTSOD1NPC1RAB9AATM
SCHEMBL20280488 0.80 MEN1 (0.34) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL20280485 0.77 MEN1 (0.35) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL19923777 0.74 QPCT (0.45) QPCTSOD1NPC1RAB9AATM
SCHEMBL5903394 0.73 NPC1 (0.55) QPCTSOD1NPC1RAB9AATM
SCHEMBL20267791 0.72 MAPT (0.36) NPC1RAB9AKMT2AMEN1MAPT

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
EP-3555069-B1 NOVEL AZOMETHINE DIRECT DYES BEARING AT LEAST ONE CATIONIC CHARGE, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF OREAL (FR) 2022-03-30 EP disclosed