SCHEMBL23729256

SCHEMBL23729256

CSn1ccc(C(=O)NC(CCCCN)C(=O)Nc2nc(-c3ccccc3)cs2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.49
HDAC1 Q13547 13/20 0.49
HDAC4 P56524 12/20 0.49
HDAC2 Q92769 12/20 0.49
HDAC3 O15379 11/20 0.49
HDAC8 Q9BY41 11/20 0.49
HDAC5 Q9UQL6 11/20 0.49
HDAC7 Q8WUI4 10/20 0.49
HDAC10 Q969S8 10/20 0.49
HDAC11 Q96DB2 10/20 0.49
HDAC9 Q9UKV0 10/20 0.49
MEF2D Q14814 2/20 0.47
EP300 Q09472 1/20 0.47
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45

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
SCHEMBL23705614 0.86 SMARCA2 (0.61) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL23705613 0.86 SMARCA2 (0.61) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL21224166 0.86 HDAC6 (0.58) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL21224170 0.86 HDAC6 (0.58) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL23730007 0.85 HDAC1 (0.51) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL23730012 0.84 SMARCA2 (0.46) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL23729740 0.82 SMARCA2 (0.50) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL5472600 0.81 HDAC6 (0.61) HDAC6HDAC1HDAC4HDAC2HDAC3
SCHEMBL23730119 0.81 SMARCA2 (0.49) SMARCA2SMARCA4
SCHEMBL5366535 0.80 HDAC6 (0.60) HDAC6HDAC1HDAC4HDAC2HDAC3

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
WO-2021155321-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed