SCHEMBL4620116

SCHEMBL4620116

CC(C)(C)C1(S)NC(=O)NC1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
CACNA1F O60840 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
SCN1A P35498 1/20 0.30
SCN4A P35499 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
CACNA1D Q01668 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1S Q13698 1/20 0.30
CACNA1C Q13936 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30

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
SCHEMBL11582513 0.71 LMNA (0.33) LMNA
SCHEMBL6692056 0.70 LMNA (0.33) LMNACACNA1FALDH1A1MAPTCYP2C9
SCHEMBL6696060 0.68 LMNA (0.32) LMNACACNA1FALDH1A1MAPTCYP2C9
SCHEMBL1363411 0.67
SCHEMBL4621326 0.64 TSHR (0.33)
SCHEMBL6695121 0.64 LMNA (0.43) LMNAALDH1A1
SCHEMBL6694074 0.64
SCHEMBL11580974 0.62 LMNA (0.46) LMNAALDH1A1
SCHEMBL4620887 0.62 LMNA (0.36) LMNACACNA1FALDH1A1MAPTCYP2C9
SCHEMBL22069 0.60

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
EP-1883454-A2 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND Showa Denko K.K. (JP) 2008-02-06 EP disclosed
WO-2006126729-A2 AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO K.K. (JP) 2006-11-30 WO disclosed