SCHEMBL9254263

SCHEMBL9254263

O=C(O)CC(C(S)S)N1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
SLC1A2 P43004 1/20 0.33
SLC22A6 Q4U2R8 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
SCHEMBL3487387 0.80 KMT2A (0.44) KMT2AATMALDH1A1PKMSLC1A2
SCHEMBL3801263 0.75 KMT2A (0.46) KMT2AATMALDH1A1PKMSLC1A2
SCHEMBL2332165 0.72 ALDH1A1 (0.56) KMT2AATMALDH1A1PKMSLC1A2
SCHEMBL1564210 0.72 KMT2A (0.47) KMT2AATMALDH1A1PKMSLC1A2
SCHEMBL604671 0.72 ALDH1A1 (0.56) KMT2AATMALDH1A1PKMSLC1A2
SCHEMBL9607 0.71 KMT2A (0.43) KMT2AATMALDH1A1PKMSLC1A2
SCHEMBL28393846 0.69 ALDH1A1 (0.37) KMT2AATMALDH1A1PKMSLC1A2
SCHEMBL30302184 0.69 ALDH1A1 (0.53) KMT2AATMALDH1A1PKMSLC1A2
Ethylene SCHEMBL29141463 0.69 ALDH1A1 (0.53) KMT2AATMALDH1A1PKMSLC1A2
Ethylene SCHEMBL8387032 0.69 ALDH1A1 (0.53) KMT2AATMALDH1A1PKMSLC1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5395924-A Oligosaccharide or glycopeptide bound to lectin and conjugated with cell binding agent, improved targeting of cells for cytolysis DANA-FARBER CANCER INSTITUTE, INC. (US) 1995-03-07 US disclosed
US-5239062-A Blocked lectins, methods and affinity support for making same using affinity ligands, and method of killing selected cell populations having reduced nonselective cytotoxicity DANA-FARBER CANCER INSTITUTE, INC. (US) 1993-08-24 US disclosed