SCHEMBL7642155

SCHEMBL7642155

Cn1ccnc(-c2ccccc2)/c1=N/N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 1/20 0.41
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.36
KDR P35968 4/20 0.35
FLT1 P17948 3/20 0.35
TEK Q02763 2/20 0.35
ADORA2A P29274 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CSF1R P07333 2/20 0.33
CDK8 P49336 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7642157 1.00 NSD3 (0.41) NSD3KMT2AKDM4EMEN1KDR
SCHEMBL4594720 0.74 BRD4 (0.45) NSD3KMT2AKDM4EPDE3BPDE3A
SCHEMBL7646136 0.71 LPO (0.40) KMT2AKDM4ELPO
SCHEMBL7646141 0.71 LPO (0.40) KMT2AKDM4ELPO
SCHEMBL786747 0.69 HDAC4 (0.52) KMT2AKDM4EMEN1LPOCHEK1
SCHEMBL5921550 0.67 HDAC4 (0.51) KMT2AKDM4EMEN1LPOCHEK1
Hydrochloric Acid SCHEMBL28830016 0.67 HDAC4 (0.51) KMT2AKDM4EMEN1LPOCHEK1
SCHEMBL7642769 0.67 LPO (0.36) LPOAURKB
SCHEMBL7642764 0.67 LPO (0.36) LPOAURKB
SCHEMBL9281044 0.66 HDAC4 (0.54) KMT2AKDM4ECDK8

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-2002074267-A1 NOVEL DYEING COMPOSITIONS FOR THE DYEING OF KERATIN FIBRES COMPRISING 6-MEMBERED HETEROCYCLIC HYDRAZONE COMPOUNDS AS AN OXIDATION BASE L'OREAL (FR) 2002-09-26 WO disclosed