SCHEMBL8993067

SCHEMBL8993067

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 2/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 2/20 0.40
GAA P10253 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL8992720 0.81 MAOA (0.36) MAPTRAB9AKDM4ENPC1CYP1A2
SCHEMBL8993135 0.79 MAPT (0.49) MAPTRAB9AKDM4ENPC1PKM
SCHEMBL8792634 0.78 SMN1; SMN2 (0.40) MAPTRAB9AKDM4ENPC1POLB
SCHEMBL8791295 0.75 CYP1A2 (0.38) MAPTRAB9AKDM4ENPC1POLB
SCHEMBL26640360 0.71 PKM (0.46) MAPTRAB9AKDM4ENPC1PKM
SCHEMBL477493 0.71 PKM (0.50) MAPTRAB9ANPC1PKMPOLB
SCHEMBL477491 0.71 PKM (0.50) MAPTRAB9ANPC1PKMPOLB
SCHEMBL2793287 0.69 PKM (0.61) MAPTRAB9AKDM4ENPC1PKM
SCHEMBL4187236 0.69 MAPT (0.51) MAPTRAB9AKDM4ENPC1CYP1A2
SCHEMBL11446255 0.69 PKM (0.50) MAPTRAB9ANPC1PKMPOLB

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