SCHEMBL9500067

SCHEMBL9500067

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.49
EPHX1 P07099 7/20 0.42
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 5/20 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
SCHEMBL9498097 0.86 MEN1 (0.35) KDM4CEPHX1MEN1KMT2APOLB
SCHEMBL9499474 0.83 MEN1 (0.35) EPHX1MEN1KMT2APOLBKDM4E
SCHEMBL20381102 0.83 NPC1 (0.40) KDM4CEPHX1MEN1KMT2ALMNA
SCHEMBL9499270 0.79 MEN1 (0.36) KDM4CMEN1KMT2AKDM4EMAPT
SCHEMBL9501618 0.77 KDM4E (0.37) EPHX1MEN1KMT2APOLBKDM4E
SCHEMBL9500139 0.76 EPHX1 (0.38) EPHX1MEN1KMT2AKDM4EMAPT
SCHEMBL13979236 0.76 PTGS2 (0.36) EPHX1MEN1KMT2ATSHR
SCHEMBL9498550 0.74 MEN1 (0.37) MEN1KMT2AKDM4EMAPT
SCHEMBL9795257 0.72 EPHX1 (0.33) EPHX1KDM4EMAPT
SCHEMBL20381100 0.71 TDP1 (0.54) EPHX1MEN1KMT2A

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
EP-0367019-A1 Pharmaceutical compositions containing nitroxyalkyl amine with an amide function, and method for the preparation of the compounds Roche Diagnostics GmbH (DE) 1990-05-09 EP disclosed