SCHEMBL10682145

SCHEMBL10682145

CC(C)NCCCCS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
PSIP1 O75475 1/20 0.46
SLC6A2 P23975 2/20 0.44
HTR2A P28223 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 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
Hydrochloric Acid SCHEMBL10687757 0.98 HDAC1 (0.48) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL10689278 0.98 HDAC1 (0.51) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL10686079 0.95 PSIP1 (0.47) HDAC1HDAC2HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL10686023 0.93 PSIP1 (0.46) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL10409150 0.88 L3MBTL1 (0.51) HDAC1HDAC2HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL10409508 0.86 L3MBTL1 (0.50) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL4770148 0.84 GAA (0.47) L3MBTL1ALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL4766574 0.80 CA1 (0.44) ALDH1A1PKMSMN1; SMN2CYP3A4CYP2C9
SCHEMBL576918 0.80 KEAP1 (0.63) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL4768191 0.79 GAA (0.49) L3MBTL1ALDH1A1LMNASMN1; SMN2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4724235-A N-(arylthioalkyl)-N'-(aminoalkyl)ureas useful in the treatment of arrhythmia A. H. ROBINS COMPANY, INCORPORATED (US) 1988-02-09 US disclosed
US-4597902-A TREATMENT OF CARDIAC ARRHYTHMIAS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-07-01 US disclosed