SCHEMBL9498097

SCHEMBL9498097

CNC(=O)NC(C)(C)C(=O)NCCCO[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHX1 P07099 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9499270 0.93 MEN1 (0.36) MEN1KMT2AKDM4EMAPTKDM4C
SCHEMBL9500067 0.86 KDM4C (0.49) MEN1KMT2AEPHX1KDM4EMAPT
SCHEMBL9499474 0.86 MEN1 (0.35) MEN1KMT2AEPHX1KDM4EMAPT
SCHEMBL9501618 0.79 KDM4E (0.37) MEN1KMT2AEPHX1KDM4EMAPT
SCHEMBL20381102 0.79 NPC1 (0.40) MEN1KMT2AEPHX1MAPTALDH1A1
SCHEMBL9500139 0.78 EPHX1 (0.38) MEN1KMT2AEPHX1KDM4EMAPT
SCHEMBL9498550 0.77 MEN1 (0.37) MEN1KMT2AKDM4EMAPTCYP2C9
SCHEMBL13979236 0.75 PTGS2 (0.36) MEN1KMT2AEPHX1PTGS1PTGS2
SCHEMBL20381100 0.73 TDP1 (0.54) MEN1KMT2AEPHX1
Fumaric Acid SCHEMBL9795259 0.72 PDE5A (0.37) MEN1KMT2AKDM4EMAPTALDH1A1

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-0367019-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS Roche Diagnostics GmbH (DE) 1993-05-12 EP disclosed
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed