SCHEMBL30797288

SCHEMBL30797288

O=C1NC[C@H](C(F)(F)F)N1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX5 P09917 2/20 0.34
GAA P10253 2/20 0.34
G6PD P11413 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GFER P55789 2/20 0.34
SLC6A3 Q01959 2/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
QPCT Q16769 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL30797260 1.00 BPTF (0.37) BPTFMEN1KMT2AALOX5GAA
SCHEMBL30797310 1.00 BPTF (0.37) BPTFMEN1KMT2AALOX5GAA
SCHEMBL15775916 0.73 MEN1 (0.39) BPTFMEN1KMT2AALOX5GAA
SCHEMBL22560034 0.73 MEN1 (0.42) BPTFMEN1KMT2AALOX5GAA
SCHEMBL31663152 0.73 GAA (0.44) BPTFMEN1KMT2AALOX5GAA
SCHEMBL2234874 0.73 GAA (0.44) BPTFMEN1KMT2AALOX5GAA
SCHEMBL4553559 0.71 QPCT (0.51) MEN1KMT2ASLC6A3HDAC6QPCT
SCHEMBL15775108 0.70 MEN1 (0.37) BPTFMEN1KMT2AALOX5GAA
SCHEMBL4303560 0.70 NOTUM (0.38) MEN1KMT2AALOX5GAAG6PD
SCHEMBL10704899 0.70 MT-CO2 (0.41) MEN1KMT2AALOX5GAAALDH1A1

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-2023244817-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed