SCHEMBL7829129

SCHEMBL7829129

[N]OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.66
AKR1C3 P42330 1/20 0.58
TSHR P16473 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.55
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
MAOB P27338 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL8062311 0.83 IDO1 (0.70) IDO1AKR1C3TSHRLOXL2CA12
SCHEMBL37463 0.83 IDO1 (0.70) IDO1AKR1C3TSHRLOXL2CA12
SCHEMBL293414 0.79 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2CA12
SCHEMBL21753899 0.79 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2CA12
SCHEMBL293415 0.79 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2CA12
SCHEMBL23091915 0.79 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2CA12
SCHEMBL12417032 0.79 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2CA12
SCHEMBL4016592 0.79 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2CA12
SCHEMBL7769668 0.79 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2CA12
SCHEMBL1722787 0.79 IDO1 (0.66) IDO1AKR1C3TSHRLOXL2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366560-A1 Tylosin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1990-05-02 EP claimed
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed
EP-0553119-A1 HETEROCYCLIC COMPOUNDS ZENECA LIMITED (GB) 1993-08-04 EP disclosed
US-5192777-A Antibiotics AMERICAN CYANAMID COMPANY (US) 1993-03-09 US disclosed
US-5187176-A 1-PHENYL SUBSTITUTED PYRIMIDONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
WO-1992006964-A1 HETEROCYCLIC COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-30 WO disclosed
US-5109004-A Cyano phenyl-substituted with heterocylic compound; insecticides, miticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-28 US disclosed
US-5039807-A Insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-08-13 US disclosed
EP-0398499-A2 Insecticides ZENECA LIMITED (GB) 1990-11-22 EP disclosed
EP-0367410-A1 Aryl pyridones as insecticidal agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-09 EP disclosed
US-4866078-A Phenyl pyridones and insectidal use thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-12 US disclosed
EP-0307225-A2 Macrolide compounds AMERICAN CYANAMID COMPANY (US) 1989-03-15 EP disclosed