SCHEMBL21241896

SCHEMBL21241896

O=C(NCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.52
HDAC1 Q13547 14/20 0.52
HDAC2 Q92769 13/20 0.52
HDAC3 O15379 12/20 0.52
HDAC4 P56524 12/20 0.52
HDAC7 Q8WUI4 12/20 0.52
HDAC10 Q969S8 12/20 0.52
HDAC11 Q96DB2 12/20 0.52
HDAC8 Q9BY41 12/20 0.52
HDAC9 Q9UKV0 12/20 0.52
HDAC5 Q9UQL6 12/20 0.52
KMT2A Q03164 1/20 0.48

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
SCHEMBL3952816 0.88 HDAC4 (0.54) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL26546948 0.88 HDAC6 (0.60) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL5457700 0.87 HDAC1 (0.56) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL26614628 0.87 HDAC1 (0.56) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL5333743 0.84 HDAC4 (0.57) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL5333748 0.84 HDAC4 (0.57) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL28528489 0.83 HDAC6 (0.58) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL21241793 0.81 HDAC6 (0.57) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL21241915 0.81 HDAC6 (0.57) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL21224416 0.81 HDAC6 (0.46) HDAC6HDAC1HDAC2HDAC3HDAC4

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-2019152437-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2019-08-08 WO disclosed