SCHEMBL8566533

SCHEMBL8566533

O=[N+]([O-])c1cccnc1CCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 2/20 0.53
PDE10A Q9Y233 1/20 0.53
POLB P06746 1/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 2/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 2/20 0.46
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.44
PAX8 Q06710 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSB P07858 1/20 0.44
GAA P10253 1/20 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
SCHEMBL30425516 0.83 PDE10A (0.51) ALDH1A1TSHRPDE10APOLBMEN1
SCHEMBL29897585 0.83 PDE10A (0.51) ALDH1A1TSHRPDE10APOLBMEN1
SCHEMBL1737478 0.83 PDE10A (0.51) ALDH1A1TSHRPDE10APOLBMEN1
SCHEMBL3769047 0.83 PDE10A (0.51) ALDH1A1TSHRPDE10APOLBMEN1
SCHEMBL13953406 0.83 PDE10A (0.51) ALDH1A1TSHRPDE10APOLBMEN1
SCHEMBL9986678 0.83 PDE10A (0.51) ALDH1A1TSHRPDE10APOLBMEN1
SCHEMBL8385464 0.83 PDE10A (0.51) ALDH1A1TSHRPDE10APOLBMEN1
SCHEMBL27679418 0.80 PDE10A (0.49) ALDH1A1TSHRPDE10APOLBMEN1
SCHEMBL9591091 0.80 PKM (0.52) ALDH1A1TSHRPDE10APOLBMEN1
SCHEMBL6369459 0.80 PDE10A (0.49) ALDH1A1TSHRPDE10APOLBMEN1

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-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