SCHEMBL4657403

SCHEMBL4657403

CCN(C(C)=O)c1cc(-c2ccc([N+](=O)[O-])cc2)c2cccc(Cl)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.39
GSK3B P49841 1/20 0.39
LTB4R Q15722 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ELANE P08246 1/20 0.37
EIF4E P06730 1/20 0.36
EIF4A1 P60842 1/20 0.35
TSPO P30536 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
PKM P14618 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
TNKS O95271 2/20 0.35

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
SCHEMBL4658394 0.86 PGR (0.42) MEN1LMNAKMT2ANPSR1RXFP1
SCHEMBL497373 0.82 ALDH1A1 (0.48) MEN1LMNAKMT2ANPSR1RXFP1
SCHEMBL4658406 0.77 DYRK1A (0.48) MEN1LMNAKMT2ANPSR1RXFP1
SCHEMBL497345 0.68 HTT (0.49) MEN1LMNAKMT2ARXFP1ALDH1A1
SCHEMBL2104354 0.66 ALDH1A1 (0.66) MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL10371791 0.62 MCL1 (0.48) MEN1LMNAKMT2ALTB4RALDH1A1
SCHEMBL4659606 0.61 ADORA1 (0.52) MEN1LMNAKMT2A
SCHEMBL5003972 0.61 CYP2A6 (0.54) LMNAKMT2ANPSR1ALDH1A1
Alcohol SCHEMBL28158022 0.61 POLB (0.66) MEN1LMNAKMT2AALDH1A1
SCHEMBL18088197 0.61 SMN1; SMN2 (0.48) MEN1LMNAKMT2ACYP1A2ALDH1A1

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