SCHEMBL9765392

SCHEMBL9765392

CN/C(=N/C#N)NC1=CC(C)(C)Oc2ccc(C#N)cc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ABCB1 P08183 11/20 0.32
ABCC9 O60706 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNE1 P15382 3/20 0.31
KCNQ1 P51787 3/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
KCND3 Q9UK17 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
SCHEMBL9765395 1.00 KDM4E (0.33) KDM4EABCB1ABCC9PDE4APDE4B
SCHEMBL9194991 0.86 KDM4E (0.36) KDM4EABCB1ABCC9PDE4APDE4B
SCHEMBL9194996 0.86 KDM4E (0.36) KDM4EABCB1ABCC9PDE4APDE4B
SCHEMBL9397182 0.84 ABCB1 (0.33) KDM4EABCB1ABCC9PDE4APDE4B
SCHEMBL9397178 0.84 ABCB1 (0.33) KDM4EABCB1ABCC9PDE4APDE4B
SCHEMBL9394910 0.83 KCNE1 (0.35) KDM4EABCB1ABCC9PDE4APDE4B
SCHEMBL9394916 0.83 ABCB1 (0.34) KDM4EABCB1ABCC9PDE4APDE4B
SCHEMBL9194763 0.83 KCNE1 (0.35) KDM4EABCB1ABCC9PDE4APDE4B
SCHEMBL10515061 0.83 ABCB1 (0.36) KDM4EABCB1ABCC9PDE4APDE4B
SCHEMBL9197648 0.83 ABCB1 (0.34) KDM4EABCB1ABCC9PDE4APDE4B

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
US-4988723-A Hypotensive agents, vasodilation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 US claimed
EP-0344747-A1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-06 EP claimed
US-4988723-A Hypotensive agents, vasodilation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-29 US disclosed
EP-0344747-A1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-06 EP disclosed