SCHEMBL9252518

SCHEMBL9252518

COc1ccc(CC(NC(=O)C(CC(=O)O)NC(=O)c2ccc3c(c2)nc(-c2ccc(C(=N)N)cc2)n3C)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 0.46
TMPRSS15 P98073 13/20 0.46
CA2 P00918 1/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41

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
SCHEMBL9252732 0.92 HDAC1 (0.46) PRSS1TMPRSS15CA2HDAC1HDAC8
SCHEMBL9250758 0.92 HDAC6 (0.52) PRSS1TMPRSS15HDAC1HDAC8HDAC6
SCHEMBL9251560 0.88 ITGB3 (0.47) PRSS1TMPRSS15HDAC1HDAC8HDAC6
SCHEMBL9248512 0.86 HDAC1 (0.56) PRSS1TMPRSS15CA2HDAC1HDAC8
SCHEMBL9251384 0.83 HDAC1 (0.49) PRSS1TMPRSS15HDAC1HDAC8HDAC6
SCHEMBL9255461 0.78 HDAC6 (0.42) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL6165313 0.76 F2 (0.58) HDAC1HDAC8HDAC6ITGB3ITGA2B
SCHEMBL9255606 0.75 MMP1 (0.39) ITGB3ITGA2B
SCHEMBL9249572 0.73 ITGB3 (0.56) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL9249490 0.73 HDAC1 (0.56) PRSS1HDAC1HDAC8HDAC6HDAC3

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-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed