SCHEMBL30061024

SCHEMBL30061024

C=CCOC[C@H](NC(=O)OCCCC)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 10/20 0.52
HDAC1 Q13547 9/20 0.52
HDAC2 Q92769 9/20 0.52
HDAC3 O15379 8/20 0.52
HDAC7 Q8WUI4 8/20 0.52
HDAC10 Q969S8 8/20 0.52
HDAC11 Q96DB2 8/20 0.52
HDAC8 Q9BY41 8/20 0.52
HDAC6 Q9UBN7 8/20 0.52
HDAC9 Q9UKV0 8/20 0.52
HDAC5 Q9UQL6 8/20 0.52
GSTO1 P78417 1/20 0.47
MEF2D Q14814 2/20 0.46
PARP1 P09874 1/20 0.46
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL23705564 0.85 GSTO1 (0.56) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL23705566 0.85 GSTO1 (0.56) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL23730027 0.85 GSTO1 (0.49) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL23730002 0.81 GSTO1 (0.56) GSTO1PARP1MAPTNPC1RAB9A
SCHEMBL23705602 0.79 GSTO1 (0.56) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL23705601 0.79 GSTO1 (0.56) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL23729533 0.78 HDAC1 (0.49) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL23730119 0.76 SMARCA2 (0.49) GSTO1PARP1MAPTNPC1RAB9A
SCHEMBL23705731 0.76 HDAC6 (0.58) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL23705727 0.76 HDAC6 (0.58) HDAC4HDAC1HDAC2HDAC3HDAC7

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-4097096-A2 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2022-12-07 EP disclosed