SCHEMBL7876697

SCHEMBL7876697

CCOc1c(CNC(=O)OC(C)(C)C)ccc(C)c1N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
MAPKAPK2 P49137 5/20 0.39
KDM4A O75164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNA5 P22460 1/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA12 O43570 5/20 0.38
CA9 Q16790 5/20 0.38
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL7883263 0.80 HDAC1 (0.41) HDAC1MAPKAPK2KDM4AL3MBTL1CA1
SCHEMBL27559509 0.77 KDM4E (0.41) HDAC1KDM4AL3MBTL1KCNA5CA1
SCHEMBL6500881 0.76 KDM4A (0.40) HDAC1MAPKAPK2KDM4AL3MBTL1KCNA5
SCHEMBL4599344 0.76 KDM4A (0.44) HDAC1KDM4AL3MBTL1KCNA5CA1
SCHEMBL6681076 0.74 MAPK1 (0.45) HDAC1MAPKAPK2KDM4AL3MBTL1KCNA5
SCHEMBL654820 0.74 KDM4A (0.45) HDAC1KDM4AL3MBTL1KCNA5CA1
SCHEMBL24168226 0.73 SYK (0.40) KCNA5CA1CA2CA12CA9
SCHEMBL29467981 0.73 RPS6KA1 (0.42) HDAC1KDM4AL3MBTL1KCNA5CA1
SCHEMBL7878669 0.72 POLB (0.41) HDAC1MAPKAPK2KDM4AL3MBTL1CA1
SCHEMBL15171404 0.72 NPC1 (0.52) KDM4AL3MBTL1KCNA5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP disclosed