SCHEMBL4658406

SCHEMBL4658406

CC(=O)Nc1cc(-c2ccc([N+](=O)[O-])cc2)c2cccc(Cl)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
RAB9A P51151 1/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CYP1A2 P05177 2/20 0.43
GAA P10253 2/20 0.43
RORC P51449 2/20 0.43
MOK Q9UQ07 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 1/20 0.41
MAPT P10636 1/20 0.41
ELANE P08246 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL4659606 0.85 ADORA1 (0.52) KMT2AMEN1LMNAMOKABCG2
SCHEMBL497310 0.80 KDM4E (0.52) DYRK1AKMT2AMEN1RXFP1RAB9A
SCHEMBL4657403 0.77 MEN1 (0.40) KMT2AMEN1LMNANPSR1RXFP1
SCHEMBL4658394 0.75 PGR (0.42) KMT2AMEN1LMNANPSR1RXFP1
SCHEMBL497346 0.67 MAPT (0.49) KMT2AMEN1LMNANPSR1RXFP1
SCHEMBL27877393 0.66 XPO1 (0.54) KMT2AMEN1LMNARAB9AMAPT
SCHEMBL497654 0.65 MAPK1 (0.52) DYRK1AKMT2AMEN1GAAMAPT
SCHEMBL12540845 0.65 MEN1 (0.50) KMT2AMEN1RAB9ACYP1A2GAA
SCHEMBL9092428 0.65 MAPK1 (0.49) DYRK1AKMT2AMEN1GAAMAPT
SCHEMBL6599966 0.65 ABCG2 (0.53) DYRK1AKMT2AMEN1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999112-B1 SUBSTITUTED 2-AMINO-4-PHENYL-DIHYDROQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICAMENTS, AND MEDICAMENTS CONTAINING THEM SANOFI SA (FR) 2015-04-22 EP disclosed
EP-1999112-A2 SUBSTITUTED 2-AMINO-4-PHENYL-D HYDROQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICAMENTS, AND MEDICAMENTS CONTAINING THEM Sanofi-Aventis (FR) 2008-12-10 EP disclosed
WO-2007107246-A2 SUBSTITUTED 2-AMINO-4-PHENYL-DιHYDROQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS MEDICAMENTS, AND MEDICAMENTS CONTAINING THEM SANOFI-AVENTIS (DE) 2007-09-27 WO disclosed