SCHEMBL9215228

SCHEMBL9215228

N#CNC(=N)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
APP P05067 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
SARM1 Q6SZW1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
SIRT4 Q9Y6E7 1/20 0.43
PLOD2 O00469 1/20 0.42
THRB P10828 1/20 0.41
LMNA P02545 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
SCHEMBL2718279 0.79 HDAC1 (0.62) POLBHDAC1HDAC6ALDH1A1GAA
SCHEMBL9220140 0.77 ALDH1A1 (0.39) ALDH1A1GAAPLOD2LMNAHIF1A
SCHEMBL283481 0.77 HDAC1 (0.60) POLBHDAC1HDAC6ALDH1A1GAA
SCHEMBL4211209 0.77 KMT2A (0.43) POLBHDAC1HDAC6ALDH1A1GAA
SCHEMBL4921939 0.76 F7 (0.52) POLBHDAC1HDAC6ALDH1A1GAA
SCHEMBL14595304 0.76 ALDH1A1 (0.52) HDAC1HDAC6ALDH1A1GAAAPP
SCHEMBL15588644 0.73 F7 (0.53) POLBHDAC1HDAC6ALDH1A1GAA
SCHEMBL16791193 0.73 ALDH1A1 (0.49) HDAC1HDAC6ALDH1A1GAAAPP
SCHEMBL4657670 0.72 LMNA (0.54) ALDH1A1GAALMNAHIF1AMAPT
SCHEMBL30285253 0.72 POLB (0.59) POLBHDAC1HDAC6ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5140109-A None JP disclosed
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
JP-H05140109-A PRODUCTION OF N-CYANO-N'-(2-NITROXYETHYL)-3-PYRIDINECARBOXYIMIDAMIDE KIRIN BREWERY CO LTD 1993-06-08 JP 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