SCHEMBL4658394

SCHEMBL4658394

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RAB9A P51151 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
TNKS O95271 3/20 0.38
TNKS2 Q9H2K2 3/20 0.38
PARP1 P09874 2/20 0.38
CYP1A2 P05177 1/20 0.38
GSK3B P49841 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
LTB4R Q15722 1/20 0.37

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
SCHEMBL4657403 0.86 MEN1 (0.40) PGRMEN1KMT2ALMNANPSR1
SCHEMBL497345 0.79 HTT (0.49) PGRMEN1KMT2ALMNARXFP1
SCHEMBL4658406 0.75 DYRK1A (0.48) MEN1KMT2ALMNANPSR1RXFP1
SCHEMBL628610 0.72 KMT2A (0.46) PGRMEN1KMT2ANPSR1RAB9A
SCHEMBL9427886 0.67 PGR (0.46) PGRMEN1KMT2ARAB9ACYP1A2
SCHEMBL497373 0.67 ALDH1A1 (0.48) MEN1KMT2ALMNANPSR1RXFP1
SCHEMBL10490273 0.66 ALDH1A1 (0.53) PGRMEN1KMT2ALMNARAB9A
SCHEMBL5003972 0.64 CYP2A6 (0.54) KMT2ALMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL18088197 0.64 SMN1; SMN2 (0.48) MEN1KMT2ALMNATNKSTNKS2
SCHEMBL1542306 0.64 PKM (0.54) MEN1KMT2ALMNANPSR1RAB9A

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