SCHEMBL24377620

SCHEMBL24377620

[O-][S+](CC(F)(F)F)c1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
TSHR P16473 4/20 0.34
MAPK1 P28482 4/20 0.34
CYP3A4 P08684 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
IDO1 P14902 3/20 0.33
PDK2 Q15119 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSD11B1 P28845 1/20 0.31
GGPS1 O95749 1/20 0.30
ERCC5 P28715 1/20 0.30
FEN1 P39748 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7646369 0.76 TP53 (0.39) TP53TSHRMAPK1CYP3A4TDP1
SCHEMBL16499836 0.74 HPGD (0.39) TSHRHSD17B10
SCHEMBL29568949 0.74 GAA (0.37)
SCHEMBL24377799 0.74 GAA (0.37)
SCHEMBL3164872 0.72 TP53 (0.48) TP53TSHRMAPK1CYP3A4TDP1
SCHEMBL29568710 0.71
SCHEMBL15072429 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20220050 0.71 MAPT (0.35)
SCHEMBL16321657 0.70
SCHEMBL23912800 0.70 TP53 (0.46) TP53TSHRMAPK1CYP3A4TDP1

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-2022084990-A1 METHODS FOR THE PREPARATION OF PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES AND INTERMEDIATES USED THEREIN ADAMA MAKHTESHIM LTD. (IL) 2022-04-28 WO disclosed