SCHEMBL9502043

SCHEMBL9502043

C#CCC(=O)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.61
ALDH1A1 P00352 4/20 0.55
APP P05067 1/20 0.55
GAA P10253 1/20 0.55
HCAR3 P49019 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
PLOD3 O60568 1/20 0.54
PLOD1 Q02809 1/20 0.54
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
SARM1 Q6SZW1 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
SIRT4 Q9Y6E7 1/20 0.53
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL137583 0.84 PLOD2 (0.59) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL6748690 0.84 PLOD2 (0.59) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL29554726 0.80 PLOD2 (0.89) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL10320930 0.80 PLOD2 (0.89) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL7075878 0.80 PLOD2 (0.69) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL6440012 0.79 PLOD2 (0.67) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL16795754 0.78 MAOA (0.49) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL2296114 0.77 PLOD2 (0.65) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL6399084 0.77 PLOD2 (0.65) PLOD2ALDH1A1APPGAAHCAR3
SCHEMBL3829645 0.77 PLOD2 (0.65) PLOD2ALDH1A1APPGAAHCAR3

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-0291673-B1 TETRAHYDROPYRIDINE OXIMES, A PROCESS FOR THEIR PREPARATION AND USE THEREOF AS CHOLINERGIC AGENTS WARNER-LAMBERT COMPANY (US) 1993-06-02 EP disclosed
US-5073561-A N-substituted-pyridinyl oximes WARNER-LAMBERT COMPANY (US) 1991-12-17 US disclosed
US-4929734-A ANTIINFLAMMATORY AGENTS, ANTIDEPRESSANTS WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed
US-4798841-A COGNITION ACTIVATORS, ANALGESICS WARNER-LAMBERT COMPANY (US) 1989-01-17 US disclosed
EP-0291673-A1 Tetrahydropyridine oximes, a process for their preparation and use thereof as cholinergic agents WARNER-LAMBERT COMPANY (US) 1988-11-23 EP disclosed
US-4710508-A ANALGESICS WARNER-LAMBERT COMPANY (US) 1987-12-01 US disclosed