SCHEMBL18052247

SCHEMBL18052247

O=C(ON1OCCCC1=O)C(CCSSc1ccccn1)S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.37
HDAC2 Q92769 13/20 0.37
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KMT2A Q03164 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
SCHEMBL574827 0.86 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL29353376 0.86 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL18726574 0.86 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL18656418 0.86 HDAC1 (0.36) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL19188153 0.81 HDAC1 (0.36) HDAC1HDAC2ALDH1A1KMT2A
SCHEMBL18896133 0.81 HDAC1 (0.36) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL18726765 0.81 HDAC1 (0.40) HDAC1HDAC2LMNAALDH1A1
SCHEMBL29427565 0.79 HDAC1 (0.34) HDAC1HDAC2
SCHEMBL17283454 0.78 HDAC1 (0.43) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL18651047 0.77 KDM4E (0.35) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2

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-2648510-B1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN INC (US) 2016-08-31 EP disclosed