SCHEMBL10340549

SCHEMBL10340549

CCOC(=O)OC(=O)CCCSSc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.44
HDAC1 Q13547 12/20 0.41
HDAC2 Q92769 12/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL10340184 0.96 LMNA (0.50) LMNASMN1; SMN2HDAC1HDAC2NPC1
SCHEMBL10340557 0.95 LMNA (0.49) LMNASMN1; SMN2HDAC1HDAC2NPC1
SCHEMBL10581045 0.93 LMNA (0.53) LMNASMN1; SMN2HDAC1HDAC2NPC1
SCHEMBL10340340 0.82 LMNA (0.46) LMNASMN1; SMN2HDAC1HDAC2NPC1
SCHEMBL18805587 0.82 LMNA (0.62) LMNASMN1; SMN2HDAC1HDAC2NPC1
SCHEMBL15927526 0.82 ALDH1A1 (0.51) LMNASMN1; SMN2HDAC1HDAC2NPC1
SCHEMBL15927544 0.82 LMNA (0.46) LMNASMN1; SMN2HDAC1HDAC2NPC1
SCHEMBL17686497 0.81 LMNA (0.53) LMNASMN1; SMN2HDAC1HDAC2NPC1
SCHEMBL19245476 0.81 ALDH1A1 (0.47) LMNASMN1; SMN2HDAC1HDAC2NPC1
SCHEMBL19426340 0.80 HDAC1 (0.44) LMNASMN1; SMN2HDAC1HDAC2NPC1

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