SCHEMBL9311705

SCHEMBL9311705

COC(OC)c1ccc(C(CC#N)c2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.43
CYP19A1 P11511 1/20 0.42
KCNA5 P22460 6/20 0.40
KCNH2 Q12809 3/20 0.40
PBRM1 Q86U86 1/20 0.40
CFTR P13569 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GOPC Q9HD26 1/20 0.39
TBXAS1 P24557 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL128718 0.85 CFTR (0.53) CYP19A1KCNA5KCNH2CFTRSLC6A2
SCHEMBL8317214 0.82 PBRM1 (0.42) PDE4DCYP19A1KCNA5KCNH2PBRM1
SCHEMBL9311629 0.79 TBXAS1 (0.47) PDE4DKCNA5KCNH2CFTRSLC6A2
SCHEMBL9313089 0.78 PDE4D (0.45) PDE4DKCNA5KCNH2CFTRSLC6A2
SCHEMBL6631615 0.77 CFTR (0.52) CYP19A1KCNA5CFTRSLC6A2SLC6A4
SCHEMBL9311555 0.73 SMN1; SMN2 (0.66) PDE4DCYP19A1CFTRSLC6A2SLC6A4
SCHEMBL12303932 0.72 CYP19A1 (0.47) CYP19A1KCNA5KCNH2CFTRSLC6A2
SCHEMBL9312096 0.72 ALDH1A1 (0.41) CYP19A1KCNA5KCNH2CFTRSLC6A2
SCHEMBL6344248 0.72 CYP19A1 (0.50) CYP19A1KCNA5KCNH2CFTRSLC6A2
SCHEMBL9312100 0.71 KIF20A (0.48) KCNH2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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