SCHEMBL29774129

SCHEMBL29774129

Clc1ccnc(CNCc2cc(Cl)ccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4A O75164 2/20 0.41
KDM4B O94953 2/20 0.41
KDM5C P41229 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CCR1 P32246 1/20 0.39
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.38
PDE8A O60658 1/20 0.38
SMARCA2 P51531 1/20 0.37
POLB P06746 1/20 0.37
FERMT2 Q96AC1 1/20 0.37
WDR5 P61964 1/20 0.36

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
SCHEMBL12845426 0.88 CYP1A2 (0.40) L3MBTL1MEN1KMT2AKDM5CKDM5B
SCHEMBL12845761 0.88 KDM4A (0.57) L3MBTL1MEN1KMT2AKDM4AKDM4B
SCHEMBL12845332 0.85 CYP1A2 (0.43) MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL12845427 0.84 CTSB (0.36) L3MBTL1MEN1KMT2ACYP1A2HPGD
SCHEMBL4307817 0.83 KCNH2 (0.43) L3MBTL1CYP1A2HPGDKDM4EALDH1A1
SCHEMBL21355793 0.83 ADH1B (0.37) L3MBTL1KMT2ACYP1A2HPGDKDM4E
SCHEMBL12845592 0.82 CHRM2 (0.42) CYP1A2KDM4EALDH1A1CCR1POLB
SCHEMBL12845658 0.81 LMNA (0.45) CYP1A2KDM4EALDH1A1CCR1
SCHEMBL8264771 0.81 CYP1A2 (0.36) L3MBTL1MEN1KMT2ACYP1A2HPGD
SCHEMBL14231682 0.80 KDM4E (0.39) MEN1KMT2ACYP1A2KDM4ECCR1

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-2022138748-A1 LABELING METHOD, OXIDANT FOR LABELING, RUTHENIUM COMPLEX, CATALYST, LABELING COMPOUND, AND COMPOUND 国立大学法人九州大学 2022-06-30 WO disclosed