SCHEMBL9252576

SCHEMBL9252576

CN(CCC(=O)O)C(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.54
SLC22A2 O15244 1/20 0.51
F10 P00742 1/20 0.51
PLG P00747 1/20 0.51
PLAT P00750 1/20 0.51
PROC P04070 1/20 0.51
HPN P05981 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
NQO2 P16083 1/20 0.51
PRSS3 P35030 1/20 0.51
SLC47A2 Q86VL8 1/20 0.51
SLC47A1 Q96FL8 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49

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
SCHEMBL9251154 0.91 NQO2 (0.48) F2SLC22A2F10PLGPLAT
SCHEMBL9249490 0.83 HDAC1 (0.56) F2SLC22A2F10PLGPLAT
SCHEMBL9252896 0.83 MEN1 (0.50) F2SLC22A2F10PLGPLAT
SCHEMBL9255124 0.82 HDAC1 (0.50) F2SLC22A2F10PLGPLAT
SCHEMBL9251773 0.82 HDAC1 (0.50) F2SLC22A2F10PLGPLAT
SCHEMBL9249572 0.81 ITGB3 (0.56) F2HDAC1HDAC8HDAC6ITGB3
SCHEMBL9251086 0.78 CA1 (0.50) F2HDAC1HDAC8HDAC6ITGB3
SCHEMBL9248512 0.77 HDAC1 (0.56) F2PRSS1HDAC1HDAC8HDAC6
SCHEMBL9252892 0.76 CA12 (0.48) F2HDAC1HDAC8HDAC6ITGB3
SCHEMBL9249307 0.76 HDAC1 (0.47) F2F10PLGNQO2HDAC1

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