SCHEMBL9249762

SCHEMBL9249762

CCCOc1cc2c(cc1C(=O)NCCC(=O)O)nc(-c1ccc(C(=N)N)cc1)n2C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.42
ITGA2B P08514 5/20 0.42
PRSS12 P56730 2/20 0.42
CHEK2 O96017 1/20 0.41
GCGR P47871 2/20 0.40
GIPR P48546 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ITGAV P06756 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
F10 P00742 3/20 0.39
F2 P00734 3/20 0.39
SLC22A2 O15244 1/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
PROC P04070 1/20 0.37

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
SCHEMBL9252426 0.93 PRSS12 (0.39) ITGB3ITGA2BPRSS12CHEK2HDAC1
SCHEMBL9252912 0.90 ITGB3 (0.43) ITGB3ITGA2BPRSS12CHEK2ITGAV
SCHEMBL9254618 0.90 CHEK2 (0.42) ITGB3ITGA2BPRSS12CHEK2NPSR1
SCHEMBL9252280 0.85 ITGB3 (0.45) ITGB3ITGA2BPRSS12CHEK2HDAC1
SCHEMBL9247795 0.84 ITGB3 (0.44) ITGB3ITGA2BPRSS12CHEK2HDAC1
SCHEMBL9254520 0.84 ITGB3 (0.44) ITGB3ITGA2BPRSS12CHEK2HDAC1
SCHEMBL9255518 0.84 CHEK2 (0.41) PRSS12CHEK2HDAC1HDAC8HDAC6
SCHEMBL9249022 0.84 ITGB3 (0.44) ITGB3ITGA2BPRSS12CHEK2HDAC1
SCHEMBL9255533 0.83 NPC1 (0.40) ITGB3ITGA2BPRSS12CHEK2HDAC1
SCHEMBL9255526 0.83 ITGB3 (0.43) ITGB3ITGA2BPRSS12CHEK2HDAC1

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