SCHEMBL436601

SCHEMBL436601

Cc1cc(Cl)c2ncc(Br)c(N)c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
RAD52 P43351 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DYRK1A Q13627 1/20 0.33
HTT P42858 2/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
ACHE P22303 3/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2A Q12879 3/20 0.31
BCHE P06276 2/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL441217 0.84 KDM4E (0.36) KMT2AKDM4EALDH1A1POLBRAD52
SCHEMBL438361 0.84 ALDH1A1 (0.36) KMT2AKDM4EALDH1A1POLBRAD52
SCHEMBL436945 0.83 KDM4E (0.45) KMT2AKDM4EALDH1A1POLBRAD52
SCHEMBL438876 0.83 BCHE (0.43) KMT2AKDM4EALDH1A1DYRK1AHTT
SCHEMBL437542 0.80 KDM4E (0.33) KMT2AKDM4EALDH1A1POLBRAD52
SCHEMBL441685 0.77 ACHE (0.35) KMT2AKDM4EALDH1A1POLBRAD52
SCHEMBL435828 0.76 ACHE (0.39) KMT2AKDM4EALDH1A1POLBRAD52
SCHEMBL436971 0.75 HAVCR2 (0.61) KMT2AKDM4ESMN1; SMN2HTTLMNA
SCHEMBL440009 0.73 HAVCR2 (0.38) KMT2AALDH1A1MEN1HAVCR2
SCHEMBL17981002 0.73 KMT2A (0.40) KMT2AKDM4EALDH1A1POLBDYRK1A

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed