SCHEMBL19934664

SCHEMBL19934664

CCN[C@H](C)CN[C@@H](C)CNC

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
SIGMAR1 Q99720 1/20 0.35
SLC6A4 P31645 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL12524757 0.95
SCHEMBL6082911 0.95
SCHEMBL19934791 0.81 KMT2A (0.34) KMT2ASIGMAR1MEN1
SCHEMBL9577962 0.81 KMT2A (0.34) KMT2ASIGMAR1MEN1
SCHEMBL19934657 0.79 SIGMAR1 (0.35) SIGMAR1SLC6A4
SCHEMBL19934799 0.78 KMT2A (0.35) KMT2AMEN1
SCHEMBL14819089 0.78 KMT2A (0.35) KMT2AMEN1
SCHEMBL21077086 0.78 SIGMAR1 (0.38) SIGMAR1SLC6A4
SCHEMBL1741259 0.77 SIGMAR1 (0.34) KMT2ASIGMAR1SLC6A4
SCHEMBL12330644 0.74

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-2018041245-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION 中国医学科学院放射医学研究所 2018-03-08 WO disclosed