SCHEMBL27434839

SCHEMBL27434839

CCc1ccc(NC(=O)CCCN)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.71
HDAC4 P56524 1/20 0.71
HDAC1 Q13547 1/20 0.71
HDAC7 Q8WUI4 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC10 Q969S8 1/20 0.71
HDAC11 Q96DB2 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
HDAC9 Q9UKV0 1/20 0.71
HDAC5 Q9UQL6 1/20 0.71
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 2/20 0.56
PKM P14618 1/20 0.56
ATM Q13315 1/20 0.56
LTA4H P09960 1/20 0.56
HPGD P15428 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51

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
SCHEMBL27435747 0.95 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23798902 0.94 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8322074 0.90 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL517051 0.90 HDAC3 (0.87) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25016113 0.87 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26019502 0.87 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18376685 0.86 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL15062385 0.86 LTA4H (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17444435 0.85 LTA4H (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23798525 0.84 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-3749355-B1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIV MIAMI (US) 2024-07-03 EP disclosed