SCHEMBL7313703

SCHEMBL7313703

CON(C(=O)c1ccc(C(=O)NO)cc1)c1cccc2sccc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.39
HDAC1 Q13547 10/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HDAC8 Q9BY41 8/20 0.36
HDAC3 O15379 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC4 P56524 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7317140 0.80 HDAC6 (0.51) HDAC6HDAC1CA1CA2HDAC8
SCHEMBL7319461 0.76 CA1 (0.38) HDAC6HDAC1CA1CA2HDAC8
SCHEMBL7314618 0.74 HDAC6 (0.47) HDAC6HDAC1CA1CA2HDAC8
SCHEMBL7325475 0.74 HDAC6 (0.52) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL7311746 0.74 HDAC8 (0.53) HDAC6HDAC1CA1CA2HDAC8
SCHEMBL7322131 0.73 HDAC1 (0.45) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL7322586 0.73 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL7317278 0.72 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL7315757 0.72 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL7314103 0.71 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC3HDAC7

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
EP-0901465-B1 COMPOUNDS WITH ANTI-INFLAMMATORY AND IMMUNOSUPPRESSIVE ACTIVITIES ITALFARMACO SPA (IT) 2000-09-27 EP disclosed
US-6034096-A Compounds with anti-inflammatory and immunosuppressive activities ITALFARMACO S.P.A. (IT) 2000-03-07 US disclosed