SCHEMBL8617510

SCHEMBL8617510

NC(Sc1ccncc1)C(=O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
SARM1 Q6SZW1 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
SIRT4 Q9Y6E7 1/20 0.49
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
APP P05067 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PLOD2 O00469 1/20 0.41
TBXAS1 P24557 1/20 0.40

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
SCHEMBL27780057 0.77 F7 (0.62) ROCK2ROCK1F7F3SARM1
SCHEMBL28659975 0.75 F7 (0.60) ROCK2ROCK1F7F3SARM1
SCHEMBL27259251 0.74 F7 (0.58) ROCK2ROCK1F7F3SARM1
SCHEMBL5288409 0.72 F7 (0.61) ROCK2ROCK1F7F3SARM1
SCHEMBL14523604 0.71 F7 (0.55) F7F3SARM1SIRT2SIRT6
SCHEMBL14074316 0.71 F7 (0.55) F7F3SARM1SIRT2SIRT6
SCHEMBL11020243 0.71 F7 (0.55) ROCK2ROCK1F7F3SARM1
SCHEMBL27543818 0.70 F7 (0.53) ROCK2ROCK1F7F3SARM1
SCHEMBL27601968 0.70 F7 (0.53) F7F3SARM1SIRT2SIRT6
SCHEMBL28869220 0.70 F7 (0.53) ROCK2ROCK1F7F3SARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
EP-0522606-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-03 EP disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 EP disclosed