SCHEMBL9252912

SCHEMBL9252912

COc1cc2c(cc1C(=O)NCCC(=O)O)nc(-c1ccc(C(=N)N)cc1)n2C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.43
ITGA2B P08514 6/20 0.43
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
PRSS12 P56730 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
CHEK2 O96017 1/20 0.41
PADI4 Q9UM07 1/20 0.40
BRD4 O60885 1/20 0.40
ITGAV P06756 1/20 0.40
F2 P00734 3/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL9255533 0.93 NPC1 (0.40) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9249762 0.90 ITGB3 (0.42) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9252280 0.88 ITGB3 (0.45) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9254520 0.87 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9247795 0.87 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9249022 0.86 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9254618 0.86 CHEK2 (0.42) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9255526 0.86 ITGB3 (0.43) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9248824 0.85 ITGB3 (0.42) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9252708 0.84 CHEK2 (0.51) ITGB3ITGA2BHDAC1HDAC8HDAC6

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