SCHEMBL9394341

SCHEMBL9394341

CC1(C)C=C(N/C=N/C#N)c2cc(C#N)ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ABCB1 P08183 8/20 0.32
ABCC9 O60706 2/20 0.32
MALT1 Q9UDY8 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
SCHEMBL9197799 1.00 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9192977 0.81 EGFR (0.33) ABCC9MALT1KDM4E
SCHEMBL9192982 0.81 EGFR (0.33) ABCC9MALT1KDM4E
SCHEMBL9194996 0.78 KDM4E (0.36) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9194991 0.78 KDM4E (0.36) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9397178 0.76 ABCB1 (0.33) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9765392 0.76 KDM4E (0.33) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9397182 0.76 ABCB1 (0.33) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9765395 0.76 KDM4E (0.33) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9550599 0.76 KDM4E (0.43) PDE4APDE4BPDE4CPDE4DABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3279378-A None JP disclosed
EP-0412531-B1 Benzopyran compounds, processes for their production and pharmaceutical compositions KAKEN PHARMA CO LTD (JP) 1994-05-11 EP disclosed
JP-H03279378-A BENZOPYRAN DERIVATIVE KAKEN PHARMACEUT CO LTD 1991-12-10 JP disclosed
EP-0412531-A1 Benzopyran compounds, processes for their production and pharmaceutical compositions Kaken Pharmaceutical Co., Ltd. (JP) 1991-02-13 EP disclosed