SCHEMBL9187712

SCHEMBL9187712

O=c1n(-c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
SCN2A Q99250 1/20 0.53
MAPT P10636 3/20 0.52
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
SIRT6 Q8N6T7 2/20 0.48
POLB P06746 2/20 0.48
ADRB1 P08588 1/20 0.48
ACHE P22303 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 3/20 0.48
KAT2B Q92831 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PLEC Q15149 1/20 0.46

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
SCHEMBL11364832 0.83 MAPT (0.59) GSK3AGSK3BSCN2AMAPTALDH1A1
SCHEMBL11365363 0.83 MAPT (0.54) GSK3AGSK3BSCN2AMAPTALDH1A1
SCHEMBL11369430 0.82 MAPT (0.62) GSK3AGSK3BMAPTALDH1A1GAA
SCHEMBL517098 0.81 GSK3A (0.52) GSK3AGSK3BSCN2AMAPTALDH1A1
SCHEMBL11608010 0.80 GSK3A (0.44) GSK3AGSK3BSCN2AMAPTALDH1A1
SCHEMBL25989164 0.79 CA12 (0.53) GSK3AGSK3BSCN2AMAPTALDH1A1
SCHEMBL28604247 0.78 HSD17B10 (0.56) GSK3AGSK3BSCN2AMAPTALDH1A1
SCHEMBL21219645 0.78 SIRT6 (0.46) GSK3AGSK3BSCN2AMAPTALDH1A1
SCHEMBL9473177 0.78 GSK3A (0.52) GSK3AGSK3BMAPTALDH1A1MAPK1
SCHEMBL11832703 0.78 HSPB1 (0.50) GSK3AGSK3BMAPTALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447074-B1 Catalytic isocyanate trimerization and urethane formation ASAHI DENKA KOGYO KK (JP) 1995-12-13 EP disclosed
US-5264572-A Catalyst for isocyanate trimerization ASAHI DENKA KOGYO K.K. (JP) 1993-11-23 US disclosed
EP-0447074-A2 Catalytic isocyanate trimerization and urethane formation ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1991-09-18 EP disclosed