SCHEMBL30953799

SCHEMBL30953799

Nc1nc2c(s1)CCOc1cc(C(F)(F)F)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ADORA1 P30542 3/20 0.43
EPHX2 P34913 1/20 0.42
SCN4A P35499 1/20 0.42
MAPT P10636 1/20 0.41
MPI P34949 1/20 0.41
PIK3CA P42336 5/20 0.40
MPL P40238 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
MAP3K14 Q99558 1/20 0.37

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
SCHEMBL30953825 0.87 KDM4E (0.60) FBP1KDM4EALDH1A1LMNAGAA
SCHEMBL1484798 0.81 KDM4E (0.48) FBP1KDM4EALDH1A1LMNAGAA
SCHEMBL30953877 0.80 ADORA1 (0.60) FBP1KDM4EALDH1A1ADORA1EPHX2
SCHEMBL30953732 0.75 ADORA1 (0.58) FBP1ADORA1
SCHEMBL30953666 0.71 EPHX2 (0.40) FBP1KDM4EALDH1A1LMNAGAA
SCHEMBL30953839 0.70 EPHX2 (0.42) EPHX2SCN4AMPL
SCHEMBL30953648 0.70 EPHX2 (0.42) FBP1KDM4EALDH1A1LMNAGAA
SCHEMBL30953748 0.70 EPHX2 (0.42) FBP1KDM4EALDH1A1LMNAGAA
SCHEMBL30953683 0.70 EPHX2 (0.42) FBP1KDM4EALDH1A1LMNAGAA
SCHEMBL30953632 0.69 KDM4E (0.65) FBP1KDM4EALDH1A1LMNAGAA

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