SCHEMBL8565503

SCHEMBL8565503

NC(=O)c1ncccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 3/20 0.45
CTSB P07858 2/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSP90AA1 P07900 2/20 0.45
GAA P10253 1/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL6448689 0.86 PDE10A (0.50) PDE10APOLBALDH1A1MAPTNPC1
SCHEMBL27523786 0.85 CDC7 (0.47) PDE10APOLBALDH1A1MAPTNPC1
SCHEMBL305884 0.85 PDE10A (0.53) PDE10APOLBALDH1A1MAPTNPC1
SCHEMBL6451146 0.84 PDE10A (0.49) PDE10APOLBALDH1A1MAPTNPC1
SCHEMBL1232905 0.84 KDM4E (0.54) PDE10APOLBALDH1A1MAPTNPC1
SCHEMBL3381186 0.82 ALDH1A1 (0.51) PDE10APOLBALDH1A1MAPTNPC1
SCHEMBL28228342 0.82 PDE10A (0.50) PDE10APOLBALDH1A1MAPTNPC1
SCHEMBL15208231 0.81 PDE10A (0.46) PDE10APOLBALDH1A1MAPTNPC1
SCHEMBL6451376 0.81 PDE10A (0.46) PDE10APOLBALDH1A1MAPTNPC1
SCHEMBL6451422 0.81 PDE10A (0.46) PDE10APOLBALDH1A1MAPTNPC1

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
EP-3600312-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP disclosed
WO-2018183145-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 WO disclosed
CN-101031300-A Aminopiperidines as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes MERCK & CO INC (US) 2007-09-05 CN disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 US disclosed