SCHEMBL18052248

SCHEMBL18052248

O=NC(=O)C(CCSSc1ccccn1)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HDAC1 Q13547 13/20 0.38
HDAC2 Q92769 13/20 0.38
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL29459657 0.86 ALDH1A1 (0.43) EHMT2EHMT1APOBEC3GALDH1A1HDAC1
SCHEMBL1120092 0.86 ALDH1A1 (0.43) EHMT2EHMT1APOBEC3GALDH1A1HDAC1
SCHEMBL11927655 0.85 EHMT2 (0.40) EHMT2EHMT1APOBEC3GALDH1A1HDAC1
SCHEMBL17758942 0.83 ALDH1A1 (0.39) EHMT2EHMT1APOBEC3GALDH1A1HDAC1
SCHEMBL16006021 0.82 HDAC1 (0.39) EHMT2EHMT1APOBEC3GALDH1A1HDAC1
SCHEMBL17283454 0.82 HDAC1 (0.43) EHMT2EHMT1APOBEC3GALDH1A1HDAC1
SCHEMBL18726699 0.78 EHMT2 (0.43) EHMT2EHMT1APOBEC3GALDH1A1HDAC1
SCHEMBL18651047 0.77 KDM4E (0.35) EHMT2EHMT1APOBEC3GALDH1A1HDAC1
SCHEMBL574827 0.76 HDAC1 (0.37) EHMT2EHMT1APOBEC3GALDH1A1HDAC1
SCHEMBL18726574 0.76 HDAC1 (0.37) EHMT2EHMT1APOBEC3GALDH1A1HDAC1

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