SCHEMBL16554423

SCHEMBL16554423

COc1ncc(NNC(=O)c2cccc(-c3ccccc3)c2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ KAT6A Q92794 6/20 0.46
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ PRKD3 O94806 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
SCHEMBL16554480 0.97 MEN1 (0.49) MEN1KMT2AKEAP1NFE2L2KAT6A
SCHEMBL16554440 0.94 MEN1 (0.51) MEN1KMT2AKEAP1NFE2L2KAT6A
SCHEMBL16554310 0.94 KMT2A (0.51) MEN1KMT2AKEAP1NFE2L2KAT6A
SCHEMBL16554522 0.93 MEN1 (0.50) MEN1KMT2AKEAP1NFE2L2KAT6A
SCHEMBL16554488 0.92 RAB9A (0.47) MEN1KMT2AKEAP1NFE2L2KAT6A
SCHEMBL16554437 0.92 MEN1 (0.48) MEN1KMT2AKEAP1NFE2L2KAT6A
SCHEMBL16554412 0.91 KAT6A (0.49) MEN1KMT2AKEAP1NFE2L2KAT6A
SCHEMBL16554359 0.91 ALDH1A1 (0.49) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL16554719 0.91 PTGS2 (0.53) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL16554424 0.90 MEN1 (0.44) MEN1KMT2AKEAP1NFE2L2KAT6A

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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