SCHEMBL30953676

SCHEMBL30953676

O=C(O)c1c(OCC(F)(F)F)ncnc1OCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAP3K7 O43318 1/20 0.44
TAB1 Q15750 1/20 0.44
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
S1PR2 O95136 1/20 0.36
S1PR4 O95977 1/20 0.36
GAA P10253 1/20 0.36
XBP1 P17861 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL18628862 0.75 CNR2 (0.40) L3MBTL1MAP3K7TAB1GSK3AGSK3B
SCHEMBL18113739 0.75 MAPT (0.46) L3MBTL1ALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL18628963 0.74 MAP3K7 (0.42) L3MBTL1MAP3K7TAB1ALDH1A1GSK3A
SCHEMBL18628847 0.73 MAP3K7 (0.41) L3MBTL1MAP3K7TAB1ALDH1A1GSK3A
SCHEMBL10569355 0.72 ALDH1A1 (0.45) L3MBTL1MAP3K7TAB1ALDH1A1MAPT
SCHEMBL2716927 0.71 L3MBTL1 (0.55) L3MBTL1ALDH1A1POLBMAPK1RXRA
SCHEMBL2716074 0.71 L3MBTL1 (0.55) L3MBTL1ALDH1A1POLBMAPK1RXRA
SCHEMBL17542119 0.70 L3MBTL1 (0.63) L3MBTL1ALDH1A1POLBMAPK1MAPT
SCHEMBL11786417 0.70 CA12 (0.50) L3MBTL1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL14762361 0.70 L3MBTL1 (0.54) L3MBTL1ALDH1A1POLBMAPK1GSK3A

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-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed