SCHEMBL8993135

SCHEMBL8993135

CCOC(=O)N(C)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
RAB9A P51151 3/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 2/20 0.48
POLB P06746 1/20 0.46
CYP2C19 P33261 2/20 0.44
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
AR P10275 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL477465 0.81 CYP2C19 (0.50) MAPTRAB9AKDM4ENPC1PKM
SCHEMBL2790902 0.80 GAA (0.53) MAPTRAB9AKDM4ENPC1PKM
SCHEMBL8993067 0.79 MAPT (0.43) MAPTRAB9AKDM4ENPC1PKM
SCHEMBL8751720 0.79 ALDH1A1 (0.57) MAPTKDM4EPKMGAAAR
SCHEMBL8992767 0.77 LMNA (0.42) MAPTRAB9AKDM4ENPC1CYP1A2
SCHEMBL14472592 0.75 MAPT (0.42) MAPTRAB9AKDM4ENPC1PKM
SCHEMBL28254387 0.75 PKM (0.56) MAPTRAB9AKDM4ENPC1PKM
SCHEMBL4187236 0.75 MAPT (0.51) MAPTRAB9AKDM4ENPC1CYP2C19
SCHEMBL3313819 0.74 MAPT (0.60) MAPTRAB9AKDM4ENPC1POLB
SCHEMBL933269 0.74 PKM (0.57) MAPTRAB9AKDM4ENPC1PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601302-B1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes WELLA AG (DE) 1996-07-10 EP disclosed
EP-0601302-A1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes Wella Aktiengesellschaft (DE) 1994-06-15 EP disclosed