SCHEMBL9255124

SCHEMBL9255124

Cn1c(-c2ccc(C(=N)N)cc2)nc2cc(C(=O)CCCC(=O)O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
F2 P00734 9/20 0.48
HDAC3 O15379 2/20 0.46
HDAC2 Q92769 2/20 0.46
PTGER4 P35408 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 3/20 0.44
JAK3 P52333 3/20 0.44
SLC22A2 O15244 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
PROC P04070 1/20 0.43
HPN P05981 1/20 0.43
PRSS1 P07477 1/20 0.43

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
SCHEMBL9251773 0.98 HDAC1 (0.50) HDAC1HDAC8HDAC6F2HDAC3
SCHEMBL9249307 0.89 HDAC1 (0.47) HDAC1HDAC8HDAC6F2HDAC3
SCHEMBL9254928 0.87 HDAC1 (0.47) HDAC1HDAC8HDAC6F2HDAC3
SCHEMBL9249572 0.86 ITGB3 (0.56) HDAC1HDAC8HDAC6F2HDAC3
SCHEMBL9252752 0.85 HDAC1 (0.48) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL9249490 0.83 HDAC1 (0.56) HDAC1HDAC8HDAC6F2HDAC3
SCHEMBL9252576 0.82 F2 (0.54) HDAC1HDAC8HDAC6F2ITGB3
SCHEMBL9256131 0.82 HDAC1 (0.49) HDAC1HDAC8HDAC6F2HDAC3
SCHEMBL9252892 0.81 CA12 (0.48) HDAC1HDAC8HDAC6F2PTGER4
SCHEMBL9248707 0.79 HDAC1 (0.50) HDAC1HDAC8HDAC6HDAC3HDAC2

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