SCHEMBL16554416

SCHEMBL16554416

COc1ncc(NNC(=O)c2cccc(C(F)(F)F)c2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.51
▸ KCNQ2 O43526 2/20 0.51
▸ KCNE1 P15382 2/20 0.51
▸ KCNQ1 P51787 2/20 0.51
▸ KCNQ5 Q9NR82 1/20 0.51
▸ RAF1 P04049 3/20 0.49
▸ BRAF P15056 3/20 0.49
▸ DDR1 Q08345 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TLR7 Q9NYK1 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ POLB P06746 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL16554496 0.89 MAPT (0.52) KCNQ3KCNQ2KCNE1KCNQ1MAPT
SCHEMBL16554480 0.86 MEN1 (0.49) BRAFMAPTGAAPOLBLCK
SCHEMBL16554515 0.86 RAB9A (0.54) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL16554400 0.85 SMN1; SMN2 (0.52) MAPTGAAPOLB
SCHEMBL16554719 0.85 PTGS2 (0.53) BRAFMAPTGAAMAPK1TDP1
SCHEMBL16554452 0.84 NPC1 (0.51) MAPTTDP1ALDH1A1
SCHEMBL16554555 0.84 RAB9A (0.49) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL16554766 0.83 PTPN1 (0.43) KCNQ3KCNQ2RAF1BRAFMAPT
SCHEMBL16554423 0.83 MEN1 (0.49) BRAFMAPTGAAPOLBLCK
SCHEMBL16554534 0.83 KCNQ3 (0.52) KCNQ3KCNQ2KCNE1KCNQ1BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015034271-A1 NOVEL ANTIFUNGAL PYRIDINYLHYDRAZIDE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-03-12 — — WO claimed
WO-2015034271-A1 NOVEL ANTIFUNGAL PYRIDINYLHYDRAZIDE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-03-12 — — WO disclosed
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