SCHEMBL8103665

SCHEMBL8103665

Cc1cc([N+](=O)[O-])c(C)c2c(=O)cc[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CCR6 P51684 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 3/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6537728 0.88 CYP1A2 (0.42) CYP1A2NPC1KMT2AMEN1RAB9A
SCHEMBL6537685 0.80 KMT2A (0.41) NPC1KMT2AMEN1RAB9AKDM4E
SCHEMBL25647610 0.79 CCR8 (0.42) KMT2ARAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL17708236 0.72 CYP1A2 (0.61) CYP1A2TSHRSMN1; SMN2TDP1CCR6
SCHEMBL25647609 0.72 NQO2 (0.41) KMT2AMEN1KDM4ERECQLMAPT
SCHEMBL6537634 0.71 GRIN2D (0.49) CYP1A2NPC1KMT2AKDM4ETSHR
SCHEMBL25647617 0.70 CFB (0.36) KMT2ACCR8
SCHEMBL8119259 0.69 KDM4E (0.52) CYP1A2NPC1KMT2AMEN1RAB9A
SCHEMBL6537811 0.69 TDP1 (0.44) NPC1KMT2AMEN1RAB9AKDM4E
SCHEMBL20877299 0.69 BCHE (0.43) NPC1KMT2AMEN1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736020-B1 6-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2000-04-26 EP disclosed
CN-1046718-C 6- (2-imidazolidinylideneamino) quinoline compounds as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 1999-11-24 CN disclosed
US-5804587-A 6-(2-imidazolinylamino) quinolines useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1998-09-08 US disclosed
US-5739148-A RESPIRATORY SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, VISION DISORDERS THE PROCTER & GAMBLE COMPANY 1998-04-14 US disclosed
CN-1137793-A 6- (2-imidazolinylamino) quinoline compounds as alpha 2 adrenoceptor agonists PROCTER & GAMBLE (US) 1996-12-11 CN disclosed
US-5578607-A 6-(2-imidazolinylamino)quinoline compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1996-11-26 US disclosed
EP-0736020-A1 6-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 EP disclosed
WO-1995016683-A1 6-(2-IMIDAZOLINYLAMINO)QUINOLINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 WO disclosed