SCHEMBL8317214

SCHEMBL8317214

COCOc1ccc(C(CC#N)c2cccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.42
CYP19A1 P11511 2/20 0.42
KCNA5 P22460 6/20 0.41
PDE4D Q08499 1/20 0.37
KCNH2 Q12809 2/20 0.36
FFAR1 O14842 1/20 0.36
CFTR P13569 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GOPC Q9HD26 1/20 0.36

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
SCHEMBL8317319 0.83 KCNA5 (0.40) CYP19A1KCNA5PDE4DFFAR1CFTR
SCHEMBL9311705 0.82 PDE4D (0.43) PBRM1CYP19A1KCNA5PDE4DKCNH2
SCHEMBL9311940 0.81 HRH1 (0.42) CYP19A1KCNA5PDE4DFFAR1CFTR
SCHEMBL128718 0.81 CFTR (0.53) CYP19A1KCNA5KCNH2CFTRSLC6A2
SCHEMBL9312935 0.80 PDE4D (0.40) KCNA5PDE4DFFAR1CFTRSLC6A2
SCHEMBL8313802 0.80 FFAR1 (0.53) KCNA5PDE4DFFAR1
SCHEMBL8319920 0.78 PDE4D (0.48) KCNA5PDE4DFFAR1
Ammonia Solution, Strong SCHEMBL8317322 0.78 TBXAS1 (0.44) CYP19A1KCNA5
SCHEMBL8318114 0.78 SMN1; SMN2 (0.57) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL9311485 0.77 CYP19A1 (0.38) CYP19A1KCNA5SLC6A2SLC6A4SLC6A3

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
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed
US-5374641-A Thromboxane synthetase inhibitors, prostaglandin H2 antagonist , anticoagulants and antiallergens TERUMO KABUSHIKI KAISHA (JP) 1994-12-20 US disclosed
EP-0501876-A1 N-(3-pyridylalkyl)sulfonamide derivative and pharmaceutical preparation containing thereof TERUMO KABUSHIKI KAISHA (JP) 1992-09-02 EP disclosed