SCHEMBL6535629

SCHEMBL6535629

Cc1cc(-n2ccccc2=O)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ACHE P22303 2/20 0.45
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.40
SCN2A Q99250 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPN P05981 1/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL17059032 0.82 COMT (0.49) ALDH1A1MAPTPOLBKDM4ESMN1; SMN2
SCHEMBL16342649 0.77 SMN1; SMN2 (0.53) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL85578 0.77 SCN2A (0.54) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL16014801 0.74 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL85896 0.73 HPGD (0.52) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL5806805 0.72 HSD17B10 (0.40) TSHRALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6535778 0.72 HSP90AA1 (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6535794 0.71 TAS2R14 (0.41) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL27693543 0.70 CYP3A4 (0.42) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL635130 0.70 TSHR (0.90) TSHRACHEALDH1A1MEN1KMT2A

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
EP-2670242-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF Genoa Pharmaceuticals, Inc. (US) 2013-12-11 EP disclosed
WO-2012106382-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF GENOA PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
EP-1261338-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2004-05-06 EP disclosed
EP-1261338-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY Cymar, Inc. (US) 2002-12-04 EP disclosed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO disclosed