SCHEMBL8090782

SCHEMBL8090782

CC1=C(n2c(Cl)cccc2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 11/20 0.36
MALT1 Q9UDY8 1/20 0.35
NSD2 O96028 1/20 0.34
PGR P06401 1/20 0.33
ABCB1 P08183 4/20 0.32
TDP2 O95551 1/20 0.32
CASP3 P42574 1/20 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
SCHEMBL8084547 0.80 ALDH1A1 (0.36) MALT1CASP3
SCHEMBL7267575 0.80 ABCC9 (0.37) ABCC9MALT1NSD2ABCB1CASP3
SCHEMBL8088432 0.79 PDE4A (0.43) ABCC9MALT1NSD2ABCB1CASP3
SCHEMBL9371935 0.78 ABCC9 (0.38) ABCC9MALT1NSD2ABCB1CASP3
SCHEMBL8077233 0.78 ABCC9 (0.40) ABCC9MALT1ABCB1CASP3
SCHEMBL8085116 0.78 ABCC9 (0.35) ABCC9MALT1NSD2PGRABCB1
SCHEMBL8090488 0.77 ABCC9 (0.36) ABCC9MALT1NSD2ABCB1CASP3
SCHEMBL8076916 0.75 ABCC9 (0.38) ABCC9MALT1ABCB1
SCHEMBL8085086 0.75 MALT1 (0.35) ABCC9MALT1ABCB1CASP3
SCHEMBL8090648 0.74 ABCC9 (0.35) ABCC9MALT1ABCB1TDP2CASP3

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