SCHEMBL10401980

SCHEMBL10401980

CN(CC(O)[C]=S)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PER2 O15055 4/20 0.37
CRY1 Q16526 4/20 0.37
CRY2 Q49AN0 4/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL10403738 0.81 MEN1 (0.39) MEN1KMT2APER2CRY1CRY2
SCHEMBL10403641 0.75 MMP1 (0.34) MEN1KMT2APER2CRY1CRY2
SCHEMBL10510602 0.73 MEN1 (0.43) MEN1KMT2APER2CRY1CRY2
SCHEMBL18312607 0.73 MEN1 (0.43) MEN1KMT2APER2CRY1CRY2
SCHEMBL598564 0.71 MEN1 (0.41) MEN1KMT2APER2CRY1CRY2
SCHEMBL17055854 0.70 CRY1 (0.46) MEN1KMT2APER2CRY1CRY2
SCHEMBL12376988 0.70 CRY1 (0.46) MEN1KMT2APER2CRY1CRY2
SCHEMBL26471765 0.70 CRY1 (0.46) MEN1KMT2APER2CRY1CRY2
SCHEMBL15627010 0.70 CRY1 (0.46) MEN1KMT2APER2CRY1CRY2
SCHEMBL6755694 0.67 MMP1 (0.43) MEN1KMT2APER2CRY1CRY2

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-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed