SCHEMBL24254429

SCHEMBL24254429

O=C(N/N=C\c1ccccc1)c1cccc(Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MCL1 Q07820 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
RAB9A P51151 8/20 0.57
NPC1 O15118 7/20 0.57
PKM P14618 3/20 0.54
POLB P06746 2/20 0.54
AMY1A P0DUB6 2/20 0.54
FAAH O00519 3/20 0.53
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
GAA P10253 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL24254449 0.88 FAAH (0.58) MEN1KMT2AMCL1L3MBTL1RAB9A
SCHEMBL29399708 0.79 MAPT (0.46) MEN1KMT2AMCL1L3MBTL1RAB9A
SCHEMBL24254299 0.79 MAPT (0.46) MEN1KMT2AMCL1L3MBTL1RAB9A
SCHEMBL19646148 0.78 KMT2A (0.67) MEN1KMT2AMCL1L3MBTL1RAB9A
SCHEMBL21441798 0.78 KMT2A (0.74) MEN1KMT2AMCL1L3MBTL1RAB9A
SCHEMBL29831996 0.78 KMT2A (0.74) MEN1KMT2AMCL1L3MBTL1RAB9A
SCHEMBL18350635 0.78 KMT2A (0.70) MEN1KMT2AMCL1L3MBTL1RAB9A
SCHEMBL24254294 0.74 RAB9A (0.45) MEN1KMT2AMCL1L3MBTL1RAB9A
SCHEMBL29399014 0.74 RAB9A (0.45) MEN1KMT2AMCL1L3MBTL1RAB9A
SCHEMBL15575804 0.73 POLB (0.79) MEN1KMT2AMCL1L3MBTL1RAB9A

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-2022035763-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-17 WO disclosed