SCHEMBL7322358

SCHEMBL7322358

CON(C(=O)c1ccc(C(=O)NO)cc1)c1ccc2cc(CN(C)C)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.46
HDAC1 Q13547 14/20 0.46
HDAC8 Q9BY41 4/20 0.45
HDAC3 O15379 4/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC2 Q92769 2/20 0.45
NCOR2 Q9Y618 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
HSP90AA1 P07900 2/20 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
SCHEMBL7314071 0.89 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL7320946 0.88 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL7321077 0.83 HDAC1 (0.47) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL7322131 0.81 HDAC1 (0.45) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL7314341 0.79 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL7309720 0.78 HDAC6 (0.43) HDAC6HDAC1HDAC3HDAC2
SCHEMBL7325410 0.77 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL7311746 0.77 HDAC8 (0.53) HDAC6HDAC1HDAC8
SCHEMBL7322365 0.76 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC3HDAC7
SCHEMBL7311325 0.76 PTGES (0.48) 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