SCHEMBL7428540

SCHEMBL7428540

CC(=O)SCc1ccccc1CCC(=O)Nc1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL7432272 0.91 ALDH1A1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7435750 0.88 KMT2A (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7438002 0.86 KDM4C (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7430848 0.83 GAA (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7428063 0.83 MAPT (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7428881 0.83 KDM4E (0.56) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL7435487 0.82 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7438516 0.81 P2RX7 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7432797 0.81 SMN1; SMN2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7431963 0.80 KDM4E (0.54) MAPTGAAMEN1KMT2AALDH1A1

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-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed