SCHEMBL8088939

SCHEMBL8088939

CC(=O)Nc1cccn(C2c3cc(C#N)ccc3OC(C)(C)C2(C)O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
ABCB1 P08183 4/20 0.38
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37

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
SCHEMBL8085232 0.86 ABCC9 (0.42) ABCC9KDM4E
SCHEMBL8090400 0.85 ABCC9 (0.43) ABCC9KDM4EABCC8KCNJ11KCNJ8
SCHEMBL8090489 0.85 KDM4E (0.39) ABCC9KDM4EABCC8KCNJ11KCNJ8
SCHEMBL8084268 0.85 ABCC9 (0.40) ABCC9KDM4EABCC8KCNJ11KCNJ8
SCHEMBL8088653 0.85 ABCC9 (0.41) ABCC9KDM4EABCC8KCNJ11KCNJ8
SCHEMBL8077223 0.84 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL8085020 0.84 ABCC9 (0.43) ABCC9KDM4EABCC8KCNJ11KCNJ8
SCHEMBL8090587 0.84 CFTR (0.38) ABCC9CYP1A2
SCHEMBL8088387 0.83 ABCC9 (0.41) ABCC9KDM4EABCC8KCNJ11KCNJ8
SCHEMBL8084942 0.82 ABCC9 (0.56) ABCC9KDM4EABCC8KCNJ11KCNJ8

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