SCHEMBL8090777

SCHEMBL8090777

COc1cccn(C2=C(C)C(C)(C)Oc3ccc(C#N)cc32)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ICMT O60725 2/20 0.37
AR P10275 2/20 0.35
ABCC9 O60706 3/20 0.35
BRD4 O60885 3/20 0.33
BRD9 Q9H8M2 3/20 0.33
MALT1 Q9UDY8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM1A O60341 1/20 0.33
STK10 O94804 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
SLK Q9H2G2 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
BRPF1 P55201 4/20 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
SCHEMBL8088855 0.89 ABCC9 (0.35) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL8076917 0.85 ABCC9 (0.38) ABCC9MALT1
SCHEMBL7268194 0.85 ABCC9 (0.36) PDE4APDE4BPDE4CPDE4DABCC9
SCHEMBL8090488 0.85 ABCC9 (0.36) ICMTABCC9MALT1
SCHEMBL8077117 0.83 ABCC9 (0.36) ABCC9MALT1
SCHEMBL8076882 0.82 ABCC9 (0.37) ARABCC9MALT1MEN1KMT2A
SCHEMBL7277508 0.82 ABCC9 (0.34) ABCC9MALT1
SCHEMBL7267575 0.82 ABCC9 (0.37) ABCC9MALT1
SCHEMBL8085347 0.82 ADORA3 (0.36) MEN1KMT2A
SCHEMBL8085126 0.81 HTR1A (0.37) PDE4APDE4BPDE4CPDE4DICMT

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-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed