SCHEMBL22360898

SCHEMBL22360898

CC(C)OCc1ccc(-c2cn(SI)nn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
PTGS2 P35354 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CD74 P04233 1/20 0.33
MIF P14174 1/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESRRG P62508 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SNCA P37840 1/20 0.32

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
SCHEMBL22360849 0.82 MEN1 (0.38) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL22360845 0.80 BRD4 (0.45) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL22360791 0.79 LRRK2 (0.39) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL22360844 0.77 MEN1 (0.36) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL1337524 0.70 IDO1 (0.41)
SCHEMBL649272 0.68 IDO1 (0.44)
SCHEMBL22360816 0.66 MEN1 (0.42) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL21676398 0.66 NPC1 (0.47) MEN1KMT2ANPC1RAB9AHSD17B10
SCHEMBL12134094 0.64 ERN1 (0.40) PTGS2L3MBTL1
SCHEMBL12936629 0.64 IDO1 (0.55)

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-2020168172-A1 CONJUGATE COMPOUNDS FOR THE DEGRADATION OF RAF ZAMBONI CHEM SOLUTIONS INC. (CA) 2020-08-20 WO disclosed