SCHEMBL16097654

SCHEMBL16097654

CN1C=Cc2c(cccc2-c2ncccc2[N+](=O)[O-])C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PAX8 Q06710 1/20 0.33
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
Hydrochloric Acid SCHEMBL11734144 0.80 TDP1 (0.41) LMNAALDH1A1MAPTTDP1MEN1
Sulfuric Acid SCHEMBL11734578 0.75 LMNA (0.40) POLBLMNAALDH1A1MAPTTDP1
SCHEMBL29865871 0.73 PDE10A (0.41) PDE10ACYP1A2CYP2C9CYP2C19POLB
SCHEMBL5077937 0.72 MAPT (0.45) PDE10ACYP1A2CYP2C9CYP2C19POLB
SCHEMBL5074722 0.72 ALDH1A1 (0.40) PDE10ACYP1A2CYP2C9CYP2C19POLB
SCHEMBL29866672 0.69 PDE10A (0.40) PDE10ACYP1A2CYP2C9CYP2C19POLB
SCHEMBL6512953 0.68 PDE10A (0.60) PDE10ACYP1A2CYP2C9CYP2C19POLB
SCHEMBL29940575 0.68 PDE10A (0.60) PDE10ACYP1A2CYP2C9CYP2C19POLB
SCHEMBL16098130 0.68 GAA (0.67) PDE10APOLBNPC1RAB9ALMNA
SCHEMBL1736405 0.66 ALDH1A1 (0.57) PDE10APOLBNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014153055-A2 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 WO disclosed