SCHEMBL21670313

SCHEMBL21670313

CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.62
TP53 P04637 1/20 0.62
GAA P10253 1/20 0.62
EPHX2 P34913 2/20 0.58
POLB P06746 2/20 0.58
KDM4E B2RXH2 1/20 0.56
RAB9A P51151 1/20 0.55
USP2 O75604 1/20 0.54

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
SCHEMBL21669776 1.00 MEN1 (0.69) MEN1KMT2ASMN1; SMN2TP53GAA
SCHEMBL21670348 0.87 MEN1 (0.73) MEN1KMT2ASMN1; SMN2TP53GAA
SCHEMBL21669795 0.87 MEN1 (0.73) MEN1KMT2ASMN1; SMN2TP53GAA
SCHEMBL21669789 0.87 KDM4E (0.77) MEN1KMT2ASMN1; SMN2TP53GAA
SCHEMBL21669859 0.87 KDM4E (0.77) MEN1KMT2ASMN1; SMN2TP53GAA
SCHEMBL21670498 0.85 MEN1 (0.74) MEN1KMT2ASMN1; SMN2GAAPOLB
SCHEMBL21670303 0.84 MEN1 (0.73) MEN1KMT2ASMN1; SMN2GAAPOLB
SCHEMBL21670251 0.84 MEN1 (0.73) MEN1KMT2ASMN1; SMN2GAAPOLB
SCHEMBL21669788 0.84 MEN1 (0.73) MEN1KMT2ASMN1; SMN2TP53GAA
SCHEMBL21669858 0.84 MEN1 (0.73) MEN1KMT2ASMN1; SMN2GAAPOLB

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-2020028482-A1 SMALL MOLECULES THAT SENSITIZE HIV-1 INFECTED CELLS TO ANTIBODY DEPENDENT CELLULAR CYTOTOXICITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-02-06 WO disclosed