SCHEMBL14535582

SCHEMBL14535582

CNC(=O)N/N=C/c1cc(Br)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.70
KDM4E B2RXH2 13/20 0.70
MAPT P10636 9/20 0.70
POLB P06746 2/20 0.70
GAA P10253 1/20 0.69
MEN1 O00255 8/20 0.67
PIK3CG P48736 1/20 0.61
HTT P42858 9/20 0.60
LMNA P02545 7/20 0.60
RAB9A P51151 5/20 0.60
NPC1 O15118 3/20 0.60
MITF O75030 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
ASF1A Q9Y294 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
GPR174 Q9BXC1 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57

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
SCHEMBL13478299 0.91 KMT2A (0.77) KMT2AKDM4EMAPTPOLBGAA
SCHEMBL17438105 0.91 KMT2A (0.77) KMT2AKDM4EMAPTPOLBGAA
SCHEMBL31393968 0.85 KMT2A (0.74) KMT2AKDM4EMAPTPOLBGAA
SCHEMBL12892158 0.82 KMT2A (0.73) KMT2AKDM4EMAPTPOLBGAA
SCHEMBL30310017 0.82 KMT2A (1.00) KMT2AKDM4EMAPTPOLBGAA
Hydrochloric Acid SCHEMBL6641972 0.81 KMT2A (0.97) KMT2AKDM4EMAPTPOLBGAA
Hydrochloric Acid SCHEMBL6641969 0.81 KMT2A (0.97) KMT2AKDM4EMAPTPOLBGAA
SCHEMBL14195172 0.79 KMT2A (0.78) KMT2AKDM4EMAPTPOLBGAA
SCHEMBL26974362 0.79 PGR (0.76) KMT2AKDM4EMAPTPOLBGAA
SCHEMBL30495458 0.79 KMT2A (0.69) KMT2AKDM4EMAPTPOLBGAA

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-2007050673-A2 CYCLIN DEPENDENT KINASE INHIBITORS UNIVERSITY OF FLORIDA (US) 2007-05-03 WO disclosed