SCHEMBL9255526

SCHEMBL9255526

CN(C)c1cc2c(cc1C(=O)NCCC(=O)O)nc(-c1ccc(C(=N)N)cc1)n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
F2 P00734 10/20 0.41
PRSS12 P56730 2/20 0.40
CHEK2 O96017 1/20 0.39
SLC22A2 O15244 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
PROC P04070 1/20 0.39
HPN P05981 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
NQO2 P16083 1/20 0.39
PRSS3 P35030 1/20 0.39
SLC47A2 Q86VL8 1/20 0.39
SLC47A1 Q96FL8 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
SCHEMBL9247807 0.92 ITGB3 (0.41) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9256882 0.91 CHEK2 (0.38) 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
SCHEMBL9252912 0.86 ITGB3 (0.43) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9248824 0.85 ITGB3 (0.42) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9252708 0.84 CHEK2 (0.51) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9249490 0.84 HDAC1 (0.56) 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