SCHEMBL8085116

SCHEMBL8085116

CC1=C(n2ncccc2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.35
MALT1 Q9UDY8 1/20 0.35
PGR P06401 1/20 0.33
ABCB1 P08183 4/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
TDP2 O95551 1/20 0.32
PDE4B Q07343 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
MAP3K5 Q99683 1/20 0.32
NSD2 O96028 1/20 0.32
CASP3 P42574 1/20 0.32
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 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
SCHEMBL8090648 0.83 ABCC9 (0.35) ABCC9MALT1ABCB1TDP2CASP3
SCHEMBL8084393 0.81 PDE4A (0.35) ABCC9MALT1ABCB1TDP2PDE4B
SCHEMBL7267575 0.80 ABCC9 (0.37) ABCC9MALT1ABCB1NSD2CASP3
SCHEMBL9377494 0.80 ABCC9 (0.38) ABCC9MALT1ABCB1CTSDBACE1
SCHEMBL8090782 0.78 ABCC9 (0.36) ABCC9MALT1PGRABCB1TDP2
SCHEMBL8077046 0.78 ABCC9 (0.39) ABCC9MALT1ABCB1TDP2CASP3
SCHEMBL8077047 0.78 ABCC9 (0.37) ABCC9MALT1ABCB1TDP2NSD2
SCHEMBL8077156 0.77 ABCC9 (0.41) ABCC9MALT1ABCB1TDP2CASP3
SCHEMBL8077075 0.75 ABCC9 (0.35) ABCC9MALT1ABCB1TDP2GABRA1
SCHEMBL8085086 0.75 MALT1 (0.35) ABCC9MALT1ABCB1CASP3ABCC8

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