SCHEMBL7322983

SCHEMBL7322983

CC(ONC(=O)c1ccc(C(=O)NO)cc1)c1cccc2cc(CN(C)C)ccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.43
HDAC1 Q13547 14/20 0.43
HDAC8 Q9BY41 7/20 0.43
HDAC3 O15379 7/20 0.40
NCOR2 Q9Y618 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HDAC11 Q96DB2 3/20 0.38
HDAC4 P56524 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 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
SCHEMBL7315867 0.90 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC3NCOR2
SCHEMBL7314089 0.83 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC3NCOR2
SCHEMBL7317784 0.82 HDAC6 (0.44) HDAC6HDAC1HDAC8HDAC3NCOR2
SCHEMBL7322140 0.81 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC3NCOR2
SCHEMBL7310314 0.79 HDAC6 (0.44) HDAC6HDAC1HDAC8HDAC3NCOR2
SCHEMBL7322989 0.79 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC3NCOR2
SCHEMBL7321589 0.78 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC3NCOR2
SCHEMBL7322365 0.75 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC3NCOR2
SCHEMBL7322131 0.75 HDAC1 (0.45) HDAC6HDAC1HDAC8HDAC3NCOR2
SCHEMBL7314094 0.74 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC3NCOR2

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