SCHEMBL6565670

SCHEMBL6565670

Cc1cc(Sc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
TSHR P16473 1/20 0.50
PDE7A Q13946 3/20 0.49
PDE7B Q9NP56 1/20 0.49
MAPT P10636 5/20 0.48
USP47 Q96K76 1/20 0.47
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 1/20 0.45
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL28622224 0.91 MAPT (0.55) HSD17B10TSHRPDE7AMAPTMEN1
SCHEMBL1369423 0.87 CES2 (0.53) HSD17B10TSHRPDE7APDE7BMAPT
SCHEMBL29712919 0.85 IDO1 (0.49) HSD17B10TSHRPDE7AMAPTMEN1
SCHEMBL29336859 0.81 MAPT (0.48) HSD17B10TSHRPDE7AMAPTMEN1
SCHEMBL13401628 0.80 GPR35 (0.51) HSD17B10PDE7APDE7BMAPTUSP47
SCHEMBL3772645 0.80 PDE7A (0.49) PDE7APDE7BMAPTUSP47GSTP1
SCHEMBL2419394 0.80 PDE7A (0.56) TSHRPDE7APDE7BMAPTUSP47
SCHEMBL10786431 0.80 PDE7A (0.74) TSHRPDE7APDE7BMAPTUSP47
SCHEMBL2904377 0.80 ALDH1A1 (0.56) TSHRPDE7APDE7BMAPTUSP47
SCHEMBL31361837 0.79 MAPT (0.53) HSD17B10TSHRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0035393-A1 Poultry feeds containing and methods of using anovulatory compounds, and novel anovulatory imidazolines MERCK & CO. INC. (US) 1981-09-09 EP disclosed
US-4287201-A CONTAINING A 2-(SUBSTITUTED PHENYLIMINO)IMIDAZOLIDINE COMPOUND MERCK & CO., INC. (US) 1981-09-01 US disclosed