SCHEMBL9252571

SCHEMBL9252571

Cn1c(-c2ccc(C(=N)N)cc2)nc2cc(C(=O)NCCC(=O)O)ncc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.45
ITGA2B P08514 9/20 0.45
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
EGLN1 Q9GZT9 1/20 0.41
GCGR P47871 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
CHEK2 O96017 1/20 0.39
ITGB2 P05107 1/20 0.39
ITGAM P11215 1/20 0.39
NAMPT P43490 1/20 0.39
F2 P00734 2/20 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

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
SCHEMBL9571166 0.91 HDAC1 (0.40) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9249490 0.86 HDAC1 (0.56) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9252708 0.84 CHEK2 (0.51) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9252280 0.83 ITGB3 (0.45) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9254520 0.82 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9247795 0.82 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9248894 0.82 ITGB3 (0.43) ITGB3ITGA2BEGLN1ITGB2ITGAM
SCHEMBL9252486 0.82 ITGB3 (0.43) ITGB3ITGA2BHDAC1HDAC8HDAC6
SCHEMBL9249022 0.81 ITGB3 (0.44) ITGB3ITGA2BHDAC1HDAC8HDAC6
Bromide SCHEMBL9254604 0.81 ITGB3 (0.43) 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 3 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 claimed
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