SCHEMBL13747718

SCHEMBL13747718

CN(C)[C@H]1CCN(C2=NC(=O)C(=Cc3cc(F)ccc3O)S2)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ AMY1A P0DUB6 1/20 0.48
▸ GFER P55789 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ SENP1 Q9P0U3 1/20 0.45
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ PIM1 P11309 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ CHEK2 O96017 2/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ RAB9A P51151 2/20 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
SCHEMBL3402943 1.00 MEN1 (0.48) MEN1KMT2ANPC1AMY1AGFER
SCHEMBL13747864 1.00 MEN1 (0.48) MEN1KMT2ANPC1AMY1AGFER
SCHEMBL13630621 1.00 MEN1 (0.48) MEN1KMT2ANPC1AMY1AGFER
SCHEMBL13616146 1.00 MEN1 (0.48) MEN1KMT2ANPC1AMY1AGFER
SCHEMBL13616134 1.00 MEN1 (0.48) MEN1KMT2ANPC1AMY1AGFER
SCHEMBL13616316 1.00 MEN1 (0.48) MEN1KMT2ANPC1AMY1AGFER
SCHEMBL3402948 1.00 MEN1 (0.48) MEN1KMT2ANPC1AMY1AGFER
Hydrochloric Acid SCHEMBL4350507 0.99 MEN1 (0.48) MEN1KMT2ANPC1AMY1AGFER
Hydrochloric Acid SCHEMBL4350517 0.99 MEN1 (0.48) MEN1KMT2ANPC1AMY1AGFER
SCHEMBL3430946 0.92 MEN1 (0.48) MEN1KMT2ANPC1AMY1AGFER

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-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 — — WO disclosed
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