SCHEMBL9739647

SCHEMBL9739647

CC(=O)Nc1ccc(CCBr)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
KMT2A Q03164 4/20 0.54
HTT P42858 2/20 0.51
POLB P06746 2/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPK1 P28482 1/20 0.44
ALDH3A1 P30838 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GALR2 O43603 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CCR6 P51684 1/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL5952645 0.87 KMT2A (0.59) MAPTNPSR1KMT2AHTTPOLB
SCHEMBL7203391 0.85 KMT2A (0.56) MAPTNPSR1KMT2AHTTPOLB
SCHEMBL20718790 0.85 MAPT (0.56) MAPTNPSR1KMT2AHTTPOLB
SCHEMBL29511376 0.85 KMT2A (0.56) MAPTNPSR1KMT2AHTTPOLB
SCHEMBL3870630 0.85 MAPT (0.56) MAPTNPSR1KMT2AHTTPOLB
SCHEMBL11539572 0.84 MAPT (0.61) MAPTNPSR1KMT2AHTTPOLB
SCHEMBL3850700 0.84 KMT2A (0.65) MAPTNPSR1KMT2AHTTPOLB
SCHEMBL27942376 0.84 MAPT (0.54) MAPTNPSR1KMT2AHTTPOLB
SCHEMBL13536801 0.83 NPSR1 (0.59) MAPTNPSR1KMT2AHTTPOLB
SCHEMBL4852458 0.83 KMT2A (0.54) MAPTNPSR1KMT2AHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0224794-B1 CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1990-09-12 EP disclosed
EP-0224794-A2 Cyclic amine derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-06-10 EP disclosed
EP-0065229-B1 BENZAZEPINES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS PHARMACEUTICAL PREPARATIONS Dr. Karl Thomae GmbH (DE) 1985-08-07 EP disclosed
EP-0065229-A1 Benzazepines, process for their preparation and their application as pharmaceutical preparations Dr. Karl Thomae GmbH (DE) 1982-11-24 EP disclosed