SCHEMBL11453039

SCHEMBL11453039

CN(SC(Cl)(Cl)Cl)C(=O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
ASAH1 Q13510 1/20 0.35
CES1 P23141 2/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL11454101 0.88 LMNA (0.35) LMNAASAH1CES1CA12CA9
SCHEMBL18485447 0.76 P2RX4 (0.50) LMNAASAH1CES1CA12CA9
SCHEMBL11453040 0.68 MEN1 (0.36) LMNAASAH1CES1CA12CA9
SCHEMBL18485414 0.67 L3MBTL1 (0.54) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL21855119 0.67 CA12 (0.52) LMNAASAH1CES1CA12CA9
SCHEMBL22649524 0.66 CYP1A2 (0.40) LMNACES1CA12CA9ALDH1A1
SCHEMBL11454100 0.66 CASP1 (0.35) ASAH1CA12CA9ALDH1A1MEN1
SCHEMBL9592299 0.66 CA12 (0.47) LMNAASAH1CES1CA12CA9
SCHEMBL887161 0.66 CES1 (0.62) LMNAASAH1CES1CA12CA9
SCHEMBL11419561 0.65 RAB9A (0.50) ASAH1CES1CA12CA9ALDH1A1

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-4228178-A Combating fungi with novel N-sulphenylated carbamoyl compounds BAYER AKTIENGESELLSCHAFT (DE) 1980-10-14 US claimed
US-4228178-A Combating fungi with novel N-sulphenylated carbamoyl compounds BAYER AKTIENGESELLSCHAFT (DE) 1980-10-14 US disclosed