SCHEMBL16554555

SCHEMBL16554555

COc1ncc(NNC(=O)c2cccc(Cl)c2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ KCNQ3 O43525 4/20 0.49
▸ KCNQ2 O43526 4/20 0.49
▸ KCNE1 P15382 2/20 0.49
▸ KCNQ1 P51787 2/20 0.49
▸ KCNQ5 Q9NR82 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ PIK3CA P42336 1/20 0.45
▸ GRM5 P41594 2/20 0.45
▸ PSMD14 O00487 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL16554424 0.94 MEN1 (0.44) RAB9ANPC1KCNQ3KCNQ2KCNE1
SCHEMBL16554480 0.88 MEN1 (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL16554515 0.88 RAB9A (0.54) RAB9ANPC1KCNQ3KCNQ2KCNE1
SCHEMBL16554437 0.88 MEN1 (0.48) RAB9ANPC1KCNQ3KCNQ2SMN1; SMN2
SCHEMBL16554400 0.87 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2KMT2ACTDSP1
SCHEMBL16554971 0.87 PTGS2 (0.55) NPC1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL16554719 0.87 PTGS2 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL16554452 0.86 NPC1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL16554423 0.85 MEN1 (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL16554310 0.84 KMT2A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1

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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