SCHEMBL9255709

SCHEMBL9255709

CNCc1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.55
HDAC1 Q13547 5/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC3 O15379 2/20 0.51
HDAC2 Q92769 2/20 0.51
PTGER4 P35408 2/20 0.47
NAMPT P43490 1/20 0.47
TP53 P04637 3/20 0.44
MAPT P10636 1/20 0.43
RORC P51449 1/20 0.43
GCGR P47871 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
PPARG P37231 1/20 0.42
PTGES O14684 1/20 0.42

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
Hydrochloric Acid SCHEMBL9251811 0.89 HDAC1 (0.50) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9247609 0.89 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC2
Bromide SCHEMBL9253343 0.88 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9248935 0.86 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9251361 0.86 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9257057 0.85 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9249490 0.85 HDAC1 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9257052 0.83 HDAC1 (0.54) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9252223 0.83 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9248937 0.82 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC3HDAC2

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