SCHEMBL23853474

SCHEMBL23853474

O=C(c1cn[nH]c1C(F)(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.39
MAPK1 P28482 1/20 0.35
P2RX7 Q99572 1/20 0.35
GAA P10253 1/20 0.35
AHR P35869 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.33
XDH P47989 1/20 0.33
CES1 P23141 1/20 0.32
HRH1 P35367 3/20 0.32
CCR3 P51677 3/20 0.32
KCNH2 Q12809 3/20 0.32
ANO1 Q5XXA6 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 1/20 0.30
EPAS1 Q99814 1/20 0.30
HTT P42858 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
SCHEMBL214467 0.82 DDR1 (0.42) DDR1P2RX7GAAAHRHSD17B10
SCHEMBL20304370 0.81 PLK4 (0.42) DDR1P2RX7GAAAHRHSD17B10
SCHEMBL30147962 0.81 DDR1 (0.41) DDR1P2RX7GAAAHRHSD17B10
Hydrochloric Acid SCHEMBL29715665 0.81 DDR1 (0.41) DDR1P2RX7GAAAHRHSD17B10
SCHEMBL17057147 0.81 DDR1 (0.41) DDR1P2RX7GAAAHRHSD17B10
SCHEMBL29106671 0.77 TSHR (0.57) DDR1MAPK1P2RX7GAAAHR
SCHEMBL353369 0.77 DDR1 (0.47) DDR1P2RX7GAAAHRHSD17B10
SCHEMBL29913411 0.74 MEN1 (0.43) DDR1GAAHSD17B10TSHRHRH1
Trifluoroacetic Acid SCHEMBL30591159 0.72 MEN1 (0.55) DDR1GAAHSD17B10TSHRALDH1A1
SCHEMBL30491310 0.72 TSHR (0.37) DDR1P2RX7GAAAHRHSD17B10

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
EP-3275868-B1 PYRAZOLYLKETONE DERIVATES FOR USE AS INTERMEDIATES AGC INC (JP) 2021-09-29 EP disclosed