SCHEMBL30235337

SCHEMBL30235337

FC(F)(F)c1cccc(-c2cccc3[nH]c(C(F)(F)F)nc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CNR2 P34972 1/20 0.49
▸ PARP1 P09874 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.44
▸ SCN2A Q99250 2/20 0.43
▸ XDH P47989 1/20 0.43
▸ MAPK13 O15264 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK12 P53778 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42

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
SCHEMBL8818540 0.81 PARP1 (0.62) MEN1KMT2AGAACNR2PARP1
SCHEMBL14958590 0.73 MGAM (0.50) GAA
SCHEMBL17840165 0.72 RORC (0.57) MAPTL3MBTL1CNR2KDM4EHPGD
SCHEMBL1894334 0.70 PARP1 (0.67) MEN1KMT2APOLBGAAMAPT
SCHEMBL8818566 0.70 PARP1 (0.60) GAACNR2PARP1SCN2AMAPK13
SCHEMBL1663645 0.70 MEN1 (0.97) MEN1KMT2APOLBGAAMAPT
SCHEMBL9504942 0.70 MEN1 (0.63) MEN1KMT2APOLBGAAMAPT
SCHEMBL21894108 0.70 MEN1 (0.63) MEN1KMT2APOLBGAAMAPT
SCHEMBL30989189 0.70 MEN1 (0.63) MEN1KMT2APOLBGAAMAPT
SCHEMBL3968268 0.70 MEN1 (0.63) MEN1KMT2APOLBGAAMAPT

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-2023055124-A1 BICYCLIC FUSED RING DERIVATIVE OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사유한양행 2023-04-06 — — WO disclosed
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