SCHEMBL11453040

SCHEMBL11453040

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CASP3 P42574 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CA9 Q16790 2/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
ASAH1 Q13510 1/20 0.34
SCN2A Q99250 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CES1 P23141 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL11454100 0.87 CASP1 (0.35) MEN1KMT2ACASP3ALDH1A1CA9
SCHEMBL11570214 0.72 ALDH1A1 (0.37) CASP3ALDH1A1CA9RAB9AASAH1
SCHEMBL4863625 0.70 ALDH1A1 (0.47) MEN1KMT2ACASP3ALDH1A1CA9
SCHEMBL11569446 0.69 ASAH1 (0.39) MEN1KMT2AALDH1A1CA9GAA
SCHEMBL11453039 0.68 LMNA (0.36) MEN1KMT2AALDH1A1CA9RAB9A
SCHEMBL18485447 0.67 P2RX4 (0.50) MEN1KMT2ACASP3ALDH1A1CA9
SCHEMBL3407687 0.66 CA12 (0.41) MEN1KMT2ACASP3ALDH1A1CA9
SCHEMBL11454101 0.66 LMNA (0.35) MEN1KMT2AALDH1A1CA9RAB9A
SCHEMBL6553580 0.65 ALDH1A1 (0.50) MEN1KMT2ACASP3ALDH1A1CA9
SCHEMBL8121869 0.65 CA12 (0.43) MEN1KMT2ACASP3ALDH1A1CA9

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 3 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
EP-0002459-A2 N-sulfenyl-carbamoyl derivatives, process for their preparation and their fongicidal use BAYER AG (DE) 1979-06-27 EP disclosed