SCHEMBL8795137

SCHEMBL8795137

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
ABCB1 P08183 10/20 0.34
KCNE1 P15382 4/20 0.34
KCNQ1 P51787 4/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
KCND3 Q9UK17 1/20 0.34
ABCC9 O60706 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL8794265 0.86 ABCC9 (0.34) ABCB1KCNE1KCNQ1ABCC9PDE4A
SCHEMBL8794643 0.86 ABCC9 (0.39) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL10381385 0.83 ABCB1 (0.35) ABCB1ABCC9PDE4APDE4BPDE4C
SCHEMBL8795403 0.78 ABCB1 (0.34) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL10381365 0.77 ABCC9 (0.41) ABCB1ABCC9PDE4APDE4BPDE4C
SCHEMBL10381384 0.72 RARA (0.42) ABCB1MEN1KMT2AABCC9
SCHEMBL9523959 0.69 PDE4A (0.37) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL9550599 0.69 KDM4E (0.43) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL9394910 0.69 KCNE1 (0.35) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL9194763 0.69 KCNE1 (0.35) ABCB1KCNE1KCNQ1MEN1CYP1A2

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