SCHEMBL6154628

SCHEMBL6154628

O=S(=O)(Nc1nc2ccccc2nc1OCCc1ccccn1)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
KDM4E B2RXH2 6/20 0.54
LMNA P02545 2/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 4/20 0.53
RXFP1 Q9HBX9 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 2/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL6038810 0.95 KMT2A (0.57) MEN1KMT2AKDM4ELMNAHSD17B10
SCHEMBL6038566 0.91 KDM4E (0.65) MEN1KMT2AKDM4ELMNAHSD17B10
SCHEMBL6038774 0.89 KMT2A (0.61) MEN1KMT2AKDM4ELMNAHSD17B10
SCHEMBL6038381 0.89 KDM4E (0.56) MEN1KMT2AKDM4ELMNAHSD17B10
SCHEMBL6038734 0.88 MEN1 (0.61) MEN1KMT2AKDM4ELMNAHSD17B10
SCHEMBL6038824 0.87 MEN1 (0.55) MEN1KMT2AKDM4ELMNAHSD17B10
SCHEMBL6038860 0.86 KMT2A (0.61) MEN1KMT2AKDM4ELMNAHSD17B10
SCHEMBL6038999 0.86 KDM4E (0.63) MEN1KMT2AKDM4ELMNAHSD17B10
SCHEMBL6038967 0.84 KMT2A (0.60) MEN1KMT2AKDM4ELMNAHSD17B10
SCHEMBL6038872 0.83 KMT2A (0.60) MEN1KMT2AKDM4ELMNAHSD17B10

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-1541563-A1 CCR4 ANTAGONIST AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-15 EP disclosed