SCHEMBL7529512

SCHEMBL7529512

CC(C)(C)ON(CC(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 5/20 0.43
TP53 P04637 1/20 0.42
PKM P14618 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.40
ALOX5 P09917 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
SCHEMBL7560433 0.80 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL7534054 0.79 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1TRPM8
SCHEMBL25695968 0.78 HTR7 (0.50) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL27331113 0.75 TP53 (0.49) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL25695965 0.74 MAPT (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL28932929 0.73 ALOX5 (0.49) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL29900630 0.73 ALOX5 (0.49) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL2453170 0.72 TP53 (0.49) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL2453168 0.72 TP53 (0.49) MEN1KMT2AKDM4EALDH1A1TP53
SCHEMBL15155861 0.72 MAPT (0.48) MEN1KMT2AALDH1A1TP53LMNA

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-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 WO claimed