SCHEMBL18896133

SCHEMBL18896133

O=C(OON1C(=O)CCC1=O)C(CCSSc1ccccn1)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.36
HDAC2 Q92769 13/20 0.36
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL29353376 0.90 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL574827 0.90 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL18726574 0.90 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL18726765 0.84 HDAC1 (0.40) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL18656418 0.82 HDAC1 (0.36) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL18651047 0.81 KDM4E (0.35) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL18052247 0.81 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL9904994 0.80 HDAC1 (0.36) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL17283454 0.80 HDAC1 (0.43) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL19188153 0.79 HDAC1 (0.36) HDAC1HDAC2ALDH1A1POLB

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
US-9663492-B2 Methods for the preparation of charged crosslinkers IMMUNOGEN, INC. (US) 2017-05-30 US disclosed