SCHEMBL8077047

SCHEMBL8077047

CC1=C(n2cccnc2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.37
MALT1 Q9UDY8 1/20 0.35
ICMT O60725 2/20 0.34
ABCB1 P08183 4/20 0.32
TDP2 O95551 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MAOB P27338 1/20 0.32
NSD2 O96028 1/20 0.32
PDE4A P27815 1/20 0.32
CASP3 P42574 1/20 0.32
ELANE P08246 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
SCHEMBL7267575 0.84 ABCC9 (0.37) ABCC9MALT1ABCB1MAOBNSD2
SCHEMBL8076917 0.82 ABCC9 (0.38) ABCC9MALT1ABCB1MAOBNSD2
SCHEMBL8077156 0.82 ABCC9 (0.41) ABCC9MALT1ABCB1TDP2CASP3
SCHEMBL7268194 0.82 ABCC9 (0.36) ABCC9MALT1ABCB1NSD2PDE4A
SCHEMBL8085371 0.82 TDP2 (0.37) ABCC9MALT1ABCB1TDP2
SCHEMBL8090488 0.82 ABCC9 (0.36) ABCC9MALT1ICMTABCB1NSD2
SCHEMBL9779684 0.80 ABCC9 (0.37) ABCC9MALT1ICMTABCB1DDB1
SCHEMBL8085075 0.80 PDE4A (0.41) ABCC9MALT1ABCB1DDB1CRBN
SCHEMBL8077046 0.80 ABCC9 (0.39) ABCC9MALT1ABCB1TDP2CASP3
SCHEMBL8090777 0.80 PDE4A (0.38) ABCC9MALT1ICMTPDE4A

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