SCHEMBL8090107

SCHEMBL8090107

CC1=C(n2cc(N)cc(Cl)c2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.35
MALT1 Q9UDY8 1/20 0.33
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
ABCB1 P08183 6/20 0.31
MIF P14174 1/20 0.31
NSD2 O96028 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 1/20 0.30

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
SCHEMBL8076916 0.90 ABCC9 (0.38) ABCC9MALT1ABCB1MIF
SCHEMBL8090263 0.88 MALT1 (0.33) ABCC9MALT1PDE4APDE4BPDE4C
SCHEMBL8085360 0.86 ABCC9 (0.37) ABCC9MALT1PDE4APDE4BPDE4C
SCHEMBL8085230 0.85 ABCC9 (0.39) ABCC9MALT1
SCHEMBL7267033 0.84 MALT1 (0.35) ABCC9MALT1PDE4APDE4BPDE4C
SCHEMBL8090488 0.83 ABCC9 (0.36) ABCC9MALT1ABCB1MIFNSD2
SCHEMBL8085132 0.83 EGLN2 (0.39) ABCC9EGLN2
SCHEMBL8077044 0.82 PDE7A (0.34) MALT1
SCHEMBL8088721 0.82 MALT1 (0.33) ABCC9MALT1PDE4APDE4BPDE4C
SCHEMBL8084413 0.80 PDE4A (0.42) ABCC9MALT1PDE4APDE4BPDE4C

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 5 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
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed