SCHEMBL16627922

SCHEMBL16627922

CCC/N=C/c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.62
MAPT P10636 8/20 0.57
HTT P42858 4/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 4/20 0.57
GAA P10253 1/20 0.57
ERN1 O75460 1/20 0.56
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HCRTR1 O43613 1/20 0.54
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PKM P14618 1/20 0.50
ADORA2A P29274 1/20 0.49
FNTA P49354 1/20 0.49

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
SCHEMBL1031373 0.91 POLB (0.64) POLBMAPTHTTKDM4EALDH1A1
SCHEMBL1031372 0.91 POLB (0.64) POLBMAPTHTTKDM4EALDH1A1
Bromide SCHEMBL6531580 0.88 POLB (0.61) POLBMAPTHTTKDM4EALDH1A1
SCHEMBL14354141 0.87 POLB (0.59) POLBMAPTHTTKDM4EALDH1A1
SCHEMBL14354139 0.87 POLB (0.59) POLBMAPTHTTKDM4EALDH1A1
SCHEMBL10569960 0.87 MAPT (0.59) POLBMAPTHTTKDM4EALDH1A1
SCHEMBL27558820 0.86 MAPT (0.60) POLBMAPTHTTKDM4EALDH1A1
SCHEMBL9826793 0.85 POLB (0.59) POLBMAPTHTTKDM4EALDH1A1
SCHEMBL14159180 0.85 POLB (0.59) POLBMAPTHTTKDM4EALDH1A1
SCHEMBL5728986 0.84 POLB (0.60) POLBMAPTHTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469799-B2 Metal containing condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-10-18 US disclosed
US-9469799-B2 Metal containing condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-10-18 US disclosed
US-20150337190-A1 Metal Containing Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW SILICONES CORPORATION 2015-11-26 US disclosed
US-20150337190-A1 Metal Containing Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW SILICONES CORPORATION 2015-11-26 US disclosed
US-9139699-B2 Metal containing condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2015-09-22 US disclosed
US-9139699-B2 Metal containing condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2015-09-22 US disclosed
WO-2015050583-A1 METAL CONTAINING CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2015-04-09 WO disclosed