SCHEMBL8090488

SCHEMBL8090488

CC1=C(n2cccc(Cl)c2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.36
MALT1 Q9UDY8 1/20 0.34
ICMT O60725 1/20 0.34
ABCB1 P08183 2/20 0.32
MIF P14174 1/20 0.32
NSD2 O96028 1/20 0.31
CASP3 P42574 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
SCHEMBL8076917 0.87 ABCC9 (0.38) ABCC9MALT1ABCB1NSD2CASP3
SCHEMBL7268194 0.87 ABCC9 (0.36) ABCC9MALT1ABCB1NSD2CASP3
SCHEMBL7277508 0.86 ABCC9 (0.34) ABCC9MALT1ABCB1
SCHEMBL8090777 0.85 PDE4A (0.38) ABCC9MALT1ICMT
SCHEMBL8076916 0.85 ABCC9 (0.38) ABCC9MALT1ABCB1MIF
SCHEMBL8077117 0.85 ABCC9 (0.36) ABCC9MALT1ABCB1
SCHEMBL8076882 0.84 ABCC9 (0.37) ABCC9MALT1ABCB1
SCHEMBL7267575 0.84 ABCC9 (0.37) ABCC9MALT1ABCB1NSD2CASP3
SCHEMBL8090107 0.83 ABCC9 (0.35) ABCC9MALT1ABCB1MIFNSD2
SCHEMBL8088855 0.83 ABCC9 (0.35) ABCC9MALT1ABCB1

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