SCHEMBL26523009

SCHEMBL26523009

Clc1cccc(-c2cccc3c2n2c4ccccc4c4ccc5c6ccccc6n3c5c42)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PARP1 P09874 1/20 0.36
GAA P10253 1/20 0.36
MCL1 Q07820 1/20 0.36
BAD Q92934 1/20 0.36
NUDT1 P36639 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL26522757 0.86 MAOA (0.39) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL26523718 0.85 KDM4E (0.39) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL26523014 0.81 PDK2 (0.33) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL26522612 0.80 MAOB (0.43) L3MBTL1MEN1KMT2AKDM4EHTT
SCHEMBL26522753 0.80 MAOA (0.43) L3MBTL1MEN1KMT2AKDM4EHTT
SCHEMBL26523010 0.79 HPGD (0.44) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL24078821 0.77 KDM4E (0.39) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL31325079 0.77 NPC1 (0.50) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL24510262 0.77 NPC1 (0.50) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL23723208 0.75 KDM4E (0.38) L3MBTL1MEN1KMT2AKDM4EHTT

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-2023185039-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS COMPRISING SAME 陕西莱特光电材料股份有限公司 2023-10-05 WO disclosed