SCHEMBL9251924

SCHEMBL9251924

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C3(N)CC3)cc1)n2C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
PTGER4 P35408 5/20 0.42
NAMPT P43490 1/20 0.42
IDH1 O75874 1/20 0.42
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RIPK2 O43353 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL9252183 0.96 HDAC1 (0.47) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL9254127 0.91 HDAC6 (0.53) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL9253539 0.87 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL8863519 0.85 HDAC1 (0.52) HDAC1HDAC8HDAC6HDAC3HDAC2
Hydrochloric Acid SCHEMBL9255053 0.84 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC3HDAC2
Hydrochloric Acid SCHEMBL9252320 0.84 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL9249604 0.83 HDAC1 (0.50) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL9247655 0.83 HDAC1 (0.43) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL9251340 0.83 HDAC1 (0.49) HDAC1HDAC8HDAC6HDAC3HDAC2
SCHEMBL9255968 0.82 HDAC1 (0.51) 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