SCHEMBL10340548

SCHEMBL10340548

CCOC(=O)C(CCSSc1ccccn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HDAC1 Q13547 11/20 0.45
HDAC2 Q92769 11/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL10340183 0.93 TDP1 (0.49) LMNASMN1; SMN2TDP1HDAC1HDAC2
SCHEMBL10340555 0.92 HDAC1 (0.52) LMNASMN1; SMN2TDP1HDAC1HDAC2
SCHEMBL10581036 0.87 LMNA (0.52) LMNASMN1; SMN2TDP1HDAC1HDAC2
SCHEMBL10340339 0.81 TDP1 (0.47) LMNASMN1; SMN2TDP1HDAC1HDAC2
SCHEMBL10086909 0.80 ALDH1A1 (0.47) LMNASMN1; SMN2HDAC1HDAC2KMT2A
SCHEMBL18805587 0.79 LMNA (0.62) LMNASMN1; SMN2HDAC1HDAC2KMT2A
SCHEMBL17686497 0.78 LMNA (0.53) LMNASMN1; SMN2HDAC1HDAC2KMT2A
SCHEMBL19188184 0.78 HDAC1 (0.47) SMN1; SMN2HDAC1HDAC2KMT2AALDH1A1
SCHEMBL25413645 0.78 ALDH1A1 (0.47) HDAC1HDAC2KMT2AALDH1A1MAPT
SCHEMBL25413647 0.78 ALDH1A1 (0.47) HDAC1HDAC2KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196007-B1 DESMOSINE DERIVATIVES AND REAGENT FOR PREPARING ARTIFICIAL ANTIGENS JAPAN TOBACCO INC. (JP) 1990-01-10 EP disclosed