SCHEMBL22701347

SCHEMBL22701347

CNc1cc(N)c(Nc2ccc(NCCCn3cc[n+](C)c3)cc2)cc1Nc1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL20267798 0.93 MEN1 (0.35) MEN1MAPTKMT2AAPAF1NPC1
SCHEMBL20268996 0.89 MEN1 (0.40) MEN1MAPTKMT2AAPAF1NPC1
SCHEMBL20288337 0.88 MEN1 (0.39) MEN1MAPTKMT2AAPAF1NPC1
SCHEMBL22701337 0.87 GAA (0.35) MEN1MAPTKMT2AAPAF1NPC1
SCHEMBL20280485 0.87 MEN1 (0.35) MEN1MAPTKMT2AAPAF1NPC1
SCHEMBL20280488 0.85 MEN1 (0.34) MEN1MAPTKMT2AAPAF1NPC1
SCHEMBL20267791 0.85 MAPT (0.36) MEN1MAPTKMT2AAPAF1NPC1
SCHEMBL22102729 0.84 MAPT (0.36) MEN1MAPTKMT2AAPAF1NPC1
SCHEMBL24348970 0.81 QPCT (0.33) MEN1MAPTKMT2AAPAF1NPC1
SCHEMBL22102730 0.80 MAPKAPK2 (0.36) MEN1MAPTKMT2AAPAF1NPC1

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-3554466-B1 DISSYMMETRIC AZOMETHINE DIRECT DYES AND PROCESS FOR THEIR PREPARATION, COSMETIC COMPOSITION COMPRISING AT LEAST ONE SUCH DYE AND USE THEREOF OREAL (FR) 2020-11-25 EP disclosed