SCHEMBL8085371

SCHEMBL8085371

CC1=C(n2ccc(O)nc2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.37
ABCC9 O60706 10/20 0.35
MALT1 Q9UDY8 1/20 0.34
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
KCNJ8 Q15842 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
KDM4C Q9H3R0 1/20 0.32
ABCB1 P08183 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL8085086 0.85 MALT1 (0.35) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL8077075 0.83 ABCC9 (0.35) TDP2ABCC9MALT1ABCC8KCNJ11
SCHEMBL8077047 0.82 ABCC9 (0.37) TDP2ABCC9MALT1ABCB1
SCHEMBL7275951 0.81 PDE4A (0.41) TDP2ABCC9MALT1ABCC8KCNJ11
SCHEMBL8076917 0.81 ABCC9 (0.38) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL9779701 0.81 ABCC9 (0.37) TDP2ABCC9MALT1ABCC8KCNJ11
SCHEMBL8085328 0.80 ABCC9 (0.36) TDP2ABCC9MALT1ABCC8KCNJ11
SCHEMBL8090648 0.80 ABCC9 (0.35) TDP2ABCC9MALT1ABCC8KCNJ11
SCHEMBL7267575 0.79 ABCC9 (0.37) ABCC9MALT1ABCC8KCNJ11KCNJ8
SCHEMBL8077156 0.79 ABCC9 (0.41) TDP2ABCC9MALT1ABCC8KCNJ11

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