SCHEMBL8715196

SCHEMBL8715196

CC(C)(C)O/N=C(/c1cc(C#N)ccc1O)c1ncccc1C#N

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PKM P14618 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8712087 1.00 KDM4C (0.32) KDM4CCYSLTR2CYSLTR1TMPRSS4EGLN1
SCHEMBL8709839 0.91 GRM4 (0.34) KDM4CCYSLTR2CYSLTR1TMPRSS4EGLN1
SCHEMBL8709842 0.91 GRM4 (0.34) KDM4CCYSLTR2CYSLTR1TMPRSS4EGLN1
SCHEMBL8715533 0.89 MAPT (0.37) PKMKMT2A
SCHEMBL8715532 0.89 MAPT (0.37) PKMKMT2A
SCHEMBL8710693 0.88 MEN1 (0.35) KMT2A
SCHEMBL8710689 0.88 MEN1 (0.35) KMT2A
SCHEMBL8713451 0.86 ELANE (0.34)
SCHEMBL8713450 0.86 ELANE (0.34)
SCHEMBL8709849 0.85 TLR7 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed