SCHEMBL7313150

SCHEMBL7313150

CCN(CC)Cc1ccc2cc(CNNC(=O)c3ccc(C(=O)NO)cc3)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.64
HDAC8 Q9BY41 7/20 0.64
HDAC1 Q13547 13/20 0.64
HDAC2 Q92769 6/20 0.64
HDAC3 O15379 5/20 0.64
HDAC4 P56524 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
NCOR2 Q9Y618 1/20 0.64
ESRRG P62508 1/20 0.43
ACHE P22303 1/20 0.42
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL7314765 0.99 HDAC1 (0.63) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL18393994 0.91 HDAC1 (0.53) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL7321545 0.90 HDAC1 (0.53) HDAC6HDAC8HDAC1HDAC2HDAC3
Hydrochloric Acid SCHEMBL7324476 0.90 HDAC1 (0.53) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL7324718 0.89 HDAC1 (0.52) HDAC6HDAC8HDAC1HDAC2HDAC3
Hydrochloric Acid SCHEMBL7315900 0.88 HDAC1 (0.51) HDAC6HDAC8HDAC1HDAC2HDAC3
Hydrochloric Acid SCHEMBL27432653 0.84 HDAC6 (0.69) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL5175761 0.82 HDAC6 (0.69) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL15482201 0.81 HDAC1 (0.69) HDAC6HDAC8HDAC1HDAC2HDAC3
Hydrochloric Acid SCHEMBL7320637 0.81 HDAC6 (0.68) HDAC6HDAC8HDAC1HDAC2HDAC3

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-6034096-A Compounds with anti-inflammatory and immunosuppressive activities ITALFARMACO S.P.A. (IT) 2000-03-07 US claimed