SCHEMBL10887360

SCHEMBL10887360

N#Cc1cc(-c2cccc([N+](=O)[O-])c2)c[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.63
▸ MCL1 Q07820 5/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ PIK3CD O00329 1/20 0.52
▸ PIK3CA P42336 1/20 0.52
▸ PIK3CB P42338 1/20 0.52
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ PGR P06401 5/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ VCAM1 P19320 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP2 O95551 1/20 0.41

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
SCHEMBL10886834 0.85 MCL1 (0.66) KDM4EMCL1ALDH1A1HPGDPIK3CD
SCHEMBL10890451 0.80 MCL1 (0.58) KDM4EMCL1ALDH1A1HPGDPIK3CD
SCHEMBL10996778 0.79 MAPT (0.59) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL5397726 0.78 MCL1 (1.00) KDM4EMCL1ALDH1A1HPGDPIK3CD
SCHEMBL11165512 0.77 KDM4E (1.00) KDM4EMCL1ALDH1A1HPGDPIK3CD
SCHEMBL6440266 0.77 LMNA (0.52) ALDH1A1LMNATSHRMAPTPGR
SCHEMBL10892089 0.77 MCL1 (0.69) KDM4EMCL1ALDH1A1HPGDPIK3CD
SCHEMBL10888436 0.77 MCL1 (0.69) KDM4EMCL1ALDH1A1HPGDPIK3CD
SCHEMBL11162632 0.77 MCL1 (0.69) KDM4EMCL1ALDH1A1HPGDPIK3CD
SCHEMBL11163965 0.77 MCL1 (0.69) KDM4EMCL1ALDH1A1HPGDPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4599423-A Preparation of 5-(hydroxy- and/or aminophenyl-6-lower-alkyl)-2(1H)-pyridinones STERLING DRUG INC. (US) 1986-07-08 — — US disclosed
US-4559352-A 1,2-Dihydro-2-oxo-5-(hydroxy-and/or amino-phenyl)-nicotinonitriles and cardiotonic use thereof STERLING DRUG INC. (US) 1985-12-17 — — US disclosed
US-4515797-A 3-Amino-5-(hydroxy- and/or aminophenyl)-6-(lower-alkyl)-2(1H)-pyridinones and cardiotonic use thereof STERLING DRUG INC. (US) 1985-05-07 — — US disclosed
US-4465686-A 5-(Hydroxy- and/or amino-phenyl)-6-(lower-alkyl)-2-(1H)-pyridinones, their cardiotonic use and preparation STERLING DRUG INC. (US) 1984-08-14 — — US disclosed
EP-0017438-B1 SUBSTITUTED 3-ALKYL-6-PHENYL-1,2,4-TRIAZOLO(4,3-A)PYRIDINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-03-02 — — EP disclosed
EP-0061774-A2 3-Amino-5-(substituted)-2 (1H) pyridinones and 3-cyano compounds useful as cardiotonics and preparation thereof STERLING DRUG INC. (US) 1982-10-06 — — EP disclosed
US-4242515-A Substituted 3-alkyl-6-phenyl-1,2,4-triazolo-[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-12-30 — — US disclosed
EP-0017438-A1 Substituted 3-alkyl-6-phenyl-1,2,4-triazolo(4,3-a)pyridines, processes for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-10-15 — — EP disclosed
US-4209626-A Substituted 6-phenyl-1,2,4-triazolo[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-06-24 — — US disclosed
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