SCHEMBL20125333

SCHEMBL20125333

O=Cc1ccnc2c(Cl)c[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
KMT2A Q03164 3/20 0.37
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
DYRK1A Q13627 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
IDO1 P14902 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
DAO P14920 1/20 0.32
PIM1 P11309 2/20 0.31

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
SCHEMBL13909686 0.81 KDM5A (0.45) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL29958532 0.72 KMT2A (0.47) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL16157363 0.71 KDM5A (1.00) KDM5AKDM4CKDM4ERAB9AL3MBTL1
SCHEMBL29956271 0.70 TRIM24 (0.49) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL9034644 0.69 CCR1 (0.52) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL29957644 0.69 KDM5A (0.41) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL29951570 0.69 CCR1 (0.43) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL29950704 0.69 CCR1 (0.43) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL13132297 0.69 TRIM24 (0.51) KDM5AKDM4CCCR1CCR5CCR8
SCHEMBL29951162 0.69 PIM1 (0.48) KDM5AKDM4CCCR1CCR5CCR8

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-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed