SCHEMBL6567485

SCHEMBL6567485

COc1cccc(Oc2ccc([N+](=O)[O-])c(C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALPG P10696 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GAA P10253 1/20 0.44
MCOLN3 Q8TDD5 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
SCHEMBL6180876 0.89 MERTK (0.52) SMN1; SMN2ALDH1A1MAPK1HTTMAPT
SCHEMBL30382526 0.89 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1MAPK1HTTMAPT
SCHEMBL1897174 0.89 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1MAPK1HTTMAPT
SCHEMBL30970189 0.87 MAPT (0.52) SMN1; SMN2ALDH1A1HTTMAPTL3MBTL1
SCHEMBL2539419 0.86 MAPT (0.56) SMN1; SMN2ALDH1A1HTTMAPTL3MBTL1
SCHEMBL30072571 0.86 HSD17B10 (0.52) SMN1; SMN2ALDH1A1MAPK1HTTMAPT
SCHEMBL443483 0.86 HSD17B10 (0.52) SMN1; SMN2ALDH1A1MAPK1HTTMAPT
SCHEMBL15541404 0.85 PIN1 (0.52) PIN1SMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL11712245 0.84 ALDH1A1 (0.56) PIN1SMN1; SMN2ALDH1A1MAPK1HTT
SCHEMBL14737306 0.84 MAPT (0.49) PIN1SMN1; SMN2ALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
EP-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP disclosed
US-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed