SCHEMBL13747073

SCHEMBL13747073

O=C1N=C(N2CCCCN2CP(=O)(O)O)S/C1=C\c1cc(F)ccc1OC(=O)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.41
▸ MEN1 O00255 8/20 0.40
▸ KMT2A Q03164 8/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.35
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ ALOX5 P09917 1/20 0.33

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
SCHEMBL13746931 0.94 NPC1 (0.40) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616084 0.93 NPC1 (0.42) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616095 0.92 NPC1 (0.41) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616083 0.87 NPC1 (0.42) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13747080 0.86 MEN1 (0.40) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616096 0.86 NPC1 (0.40) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616105 0.86 NPC1 (0.38) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616068 0.85 MEN1 (0.43) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616098 0.85 MEN1 (0.38) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616073 0.84 MEN1 (0.41) NPC1MEN1KMT2APOLBRAB9A

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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