SCHEMBL9215237

SCHEMBL9215237

N#CN=C(N)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
F7 P08709 1/20 0.52
F3 P13726 1/20 0.52
SARM1 Q6SZW1 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
SIRT4 Q9Y6E7 1/20 0.52
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
APP P05067 1/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
LMNA P02545 2/20 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
SCHEMBL29692126 0.77 F7 (0.59) POLBF7F3SARM1SIRT2
SCHEMBL312479 0.77 F7 (0.59) POLBF7F3SARM1SIRT2
SCHEMBL834568 0.77 F7 (0.59) POLBF7F3SARM1SIRT2
SCHEMBL9220145 0.77 POLB (0.64) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL283482 0.77 F7 (0.59) POLBF7F3SARM1SIRT2
SCHEMBL27764447 0.77 F7 (0.59) POLBF7F3SARM1SIRT2
SCHEMBL283480 0.77 F7 (0.59) POLBF7F3SARM1SIRT2
SCHEMBL18419421 0.77 POLB (1.00) POLBF7F3ALDH1A1MEN1
SCHEMBL11229878 0.77 POLB (1.00) POLBF7F3ALDH1A1MEN1
SCHEMBL24170739 0.76 F7 (0.57) POLBF7F3SARM1SIRT2

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
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed