SCHEMBL8794643

SCHEMBL8794643

CCNC(=O)C1=CC(C)(C)Oc2ccc(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.39
KCNE1 P15382 3/20 0.36
KCNQ1 P51787 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
KCND3 Q9UK17 1/20 0.36
HSP90AB1 P08238 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCB1 P08183 3/20 0.36
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL10381365 0.86 ABCC9 (0.41) ABCC9KDM4EABCB1
SCHEMBL8795137 0.86 SMN1; SMN2 (0.38) ABCC9KCNE1KCNQ1MEN1CYP1A2
SCHEMBL10381384 0.81 RARA (0.42) ABCC9MEN1KMT2AABCB1
SCHEMBL8795746 0.78 ABCC9 (0.39) ABCC9KCNE1KCNQ1MEN1CYP1A2
SCHEMBL8794265 0.77 ABCC9 (0.34) ABCC9KCNE1KCNQ1KDM4EABCB1
SCHEMBL9550599 0.74 KDM4E (0.43) ABCC9KCNE1KCNQ1MEN1CYP1A2
SCHEMBL10381385 0.74 ABCB1 (0.35) ABCC9KDM4EABCB1
SCHEMBL8314385 0.73 ABCC9 (0.36) ABCC9KCNE1KCNQ1KDM4EABCB1
SCHEMBL8310915 0.73 ABCC9 (0.37) ABCC9KCNE1KCNQ1MEN1CYP1A2
SCHEMBL8316738 0.72 ABCC9 (0.32) ABCC9

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-0541807-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1997-12-17 EP disclosed
US-5412117-A Potassium channel activators, antiasmatics, antiepileptics CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-05-02 US disclosed
EP-0541807-A1 NOVEL BENZOPYRAN DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-05-19 EP disclosed