SCHEMBL9257057

SCHEMBL9257057

CC(N)Cc1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.53
HDAC1 Q13547 5/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC3 O15379 3/20 0.53
HDAC2 Q92769 3/20 0.53
NAMPT P43490 1/20 0.45
PTGER4 P35408 2/20 0.43
GCGR P47871 4/20 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
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL9249609 0.91 HDAC1 (0.52) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9247609 0.90 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC2
Bromide SCHEMBL9253343 0.89 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9255709 0.85 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9252223 0.85 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9249490 0.84 HDAC1 (0.56) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9257052 0.83 HDAC1 (0.54) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9251347 0.82 HDAC1 (0.50) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9251361 0.82 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL9254127 0.81 HDAC6 (0.53) 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 1 patent. 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