SCHEMBL8795403

SCHEMBL8795403

CCC1(C)C=C(C(=S)NC)c2cc(C#N)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 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 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8795746 0.86 ABCC9 (0.39) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL8794265 0.85 ABCC9 (0.34) ABCB1KCNE1KCNQ1ABCC9KDM4E
SCHEMBL8795137 0.78 SMN1; SMN2 (0.38) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL8794704 0.76 ABCB1 (0.33) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL10381385 0.73 ABCB1 (0.35) ABCB1ABCC9KDM4E
SCHEMBL8795668 0.72 ABCC9 (0.34) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL10381365 0.71 ABCC9 (0.41) ABCB1ABCC9KDM4E
SCHEMBL8794643 0.68 ABCC9 (0.39) ABCB1KCNE1KCNQ1MEN1CYP1A2
SCHEMBL9527675 0.68 METAP2 (0.37) KDM4E
SCHEMBL8314385 0.67 ABCC9 (0.36) ABCB1KCNE1KCNQ1ABCC9KDM4E

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 5 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
EP-0766669-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-04-09 EP disclosed
WO-1995035283-A1 TRI-SUBSTITUTED PHENYL DERIVATIVES USEFUL AS PDE IV INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1995-12-28 WO 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