SCHEMBL7310314

SCHEMBL7310314

CC(ONC(=O)c1ccc(C(=O)NO)cc1)c1cc(CN(C)C)c2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.44
HDAC1 Q13547 14/20 0.44
HDAC8 Q9BY41 8/20 0.44
HDAC10 Q969S8 6/20 0.44
HDAC3 O15379 5/20 0.44
HDAC2 Q92769 5/20 0.44
NCOR2 Q9Y618 3/20 0.44
HDAC4 P56524 3/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC11 Q96DB2 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
SCHEMBL7317484 0.90 HDAC6 (0.44) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL7321589 0.80 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL7325419 0.80 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL7322983 0.79 HDAC6 (0.43) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL7314089 0.78 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL7310319 0.78 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL7317784 0.78 HDAC6 (0.44) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL7325410 0.74 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC10HDAC3
SCHEMBL7317107 0.73 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC10HDAC3
Hydrochloric Acid SCHEMBL7319311 0.73 ADAM17 (0.43) HDAC6HDAC1HDAC8HDAC10HDAC3

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