SCHEMBL11659270

SCHEMBL11659270

CC(=O)Nc1ccc(SCc2ccccc2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.51
HDAC1 Q13547 4/20 0.51
HDAC2 Q92769 4/20 0.51
NCOR1 O75376 3/20 0.51
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MCL1 Q07820 3/20 0.48
BCL2A1 Q16548 3/20 0.48
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
BRD4 O60885 2/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
ADORA3 P0DMS8 2/20 0.41

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
SCHEMBL11644076 0.80 HDAC1 (0.50) HDAC3HDAC1HDAC2NPC1KDM4E
SCHEMBL11630712 0.80 MAPT (0.51) MCL1BCL2A1MAPTNPC1CYP3A4
SCHEMBL11401717 0.79 NPC1 (0.46) HDAC3HDAC1HDAC2MAPTNPC1
SCHEMBL11659228 0.78 NPC1 (0.45) HDAC3HDAC1HDAC2NCOR1MAPT
SCHEMBL11645107 0.77 HDAC1 (0.46) HDAC3HDAC1HDAC2NCOR1HDAC4
SCHEMBL24101771 0.76 MCL1 (0.59) HDAC3HDAC1HDAC2NCOR1HDAC4
SCHEMBL11652564 0.75 LMNA (0.53) MCL1BCL2A1BRD4ADORA3MEN1
SCHEMBL30468962 0.74 POLB (0.55) MCL1BCL2A1NPC1MAOAMAOB
SCHEMBL11630533 0.74 POLB (0.55) MCL1BCL2A1NPC1MAOAMAOB
SCHEMBL13577090 0.73 MAOA (0.50) MCL1BCL2A1NPC1MAOAMAOB

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
US-4072696-A 5(6)-Benzene ring substituted benzimidazole-2-carbamate derivatives having anthelmintic activity SYNTEX (U.S.A.) INC. (US) 1978-02-07 US disclosed