SCHEMBL8314385

SCHEMBL8314385

CNC(=O)C1=CC(CF)(CF)Oc2ccc(C#N)cc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.36
ABCB1 P08183 6/20 0.33
KDM4E B2RXH2 1/20 0.33
CDK1 P06493 1/20 0.33
PTGER4 P35408 1/20 0.33
KCNE1 P15382 2/20 0.32
KCNQ1 P51787 2/20 0.32

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
SCHEMBL8312376 0.85 PTGS2 (0.38) ABCC9ABCB1KDM4EKCNE1KCNQ1
SCHEMBL8316738 0.84 ABCC9 (0.32) ABCC9
SCHEMBL10381365 0.83 ABCC9 (0.41) ABCC9ABCB1KDM4E
SCHEMBL8312895 0.82 GABRA1 (0.37) ABCC9KCNE1KCNQ1
SCHEMBL8795746 0.81 ABCC9 (0.39) ABCC9ABCB1KDM4EPTGER4KCNE1
SCHEMBL8313588 0.79 OPRD1 (0.40)
SCHEMBL8316122 0.78 EPHX2 (0.30)
SCHEMBL8794643 0.73 ABCC9 (0.39) ABCC9ABCB1KDM4EKCNE1KCNQ1
SCHEMBL8313718 0.71
SCHEMBL8313695 0.71 KDM4E (0.34) KDM4ECDK1

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-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed