SCHEMBL9250758

SCHEMBL9250758

Cn1c(-c2ccc(C(=N)N)cc2)nc2cc(C(=O)NC(CC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC8 Q9BY41 3/20 0.52
NAMPT P43490 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
PRSS1 P07477 4/20 0.42
TMPRSS15 P98073 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PTGER4 P35408 1/20 0.41
F2 P00734 3/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL9252732 0.94 HDAC1 (0.46) HDAC6HDAC1HDAC8NAMPTHDAC3
SCHEMBL9252518 0.92 PRSS1 (0.46) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9248512 0.89 HDAC1 (0.56) HDAC6HDAC1HDAC8NAMPTHDAC3
SCHEMBL9251384 0.86 HDAC1 (0.49) HDAC6HDAC1HDAC8NAMPTHDAC3
SCHEMBL9251560 0.79 ITGB3 (0.47) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9252253 0.78 HDAC6 (0.46) HDAC6HDAC1HDAC8NAMPTHDAC3
SCHEMBL6165313 0.77 F2 (0.58) HDAC6HDAC1HDAC8F2ITGB3
SCHEMBL7336254 0.76 PRSS1 (0.50) PRSS1TMPRSS15
SCHEMBL9249572 0.76 ITGB3 (0.56) HDAC6HDAC1HDAC8NAMPTHDAC3
SCHEMBL9249490 0.76 HDAC1 (0.56) HDAC6HDAC1HDAC8NAMPTHDAC3

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