SCHEMBL13632151

SCHEMBL13632151

CN(C)C(CCSSc1ccccn1)C(=O)ON

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.43
HDAC2 Q92769 13/20 0.43
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.37
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL31005446 0.85 ALDH1A1 (0.43) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL1120030 0.85 ALDH1A1 (0.43) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL4348222 0.82 HDAC1 (0.39) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL31005440 0.82 HDAC1 (0.39) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL19188392 0.76 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1MAPT
SCHEMBL10340548 0.73 LMNA (0.50) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL25413645 0.73 ALDH1A1 (0.47) HDAC1HDAC2ALDH1A1EHMT2EHMT1
SCHEMBL10086909 0.73 ALDH1A1 (0.47) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL25413647 0.73 ALDH1A1 (0.47) HDAC1HDAC2ALDH1A1EHMT2EHMT1
SCHEMBL20095020 0.72 LMNA (0.45) HDAC1HDAC2LMNAALDH1A1EHMT2

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
WO-2009134977-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. (US) 2009-11-05 WO disclosed