SCHEMBL13747010

SCHEMBL13747010

CCN(CC)C1CCN(C(=O)Oc2ccc(F)cc2/C=C2\SC(N3CCCCN3P(=O)(O)O)=NC2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.38
▸ MEN1 O00255 9/20 0.36
▸ KMT2A Q03164 9/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ CBX7 O95931 1/20 0.35
▸ CDYL2 Q8N8U2 1/20 0.35
▸ CDYL Q9Y232 1/20 0.35
▸ CDY1; CDY1B Q9Y6F8 1/20 0.35
▸ RAB9A P51151 2/20 0.33
▸ GFER P55789 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
SCHEMBL13747009 0.95 MEN1 (0.39) NPC1MEN1KMT2AACKR3POLB
SCHEMBL13616080 0.94 NPC1 (0.38) NPC1MEN1KMT2AACKR3POLB
SCHEMBL13616079 0.89 MEN1 (0.39) NPC1MEN1KMT2AACKR3POLB
SCHEMBL13616100 0.89 NPC1 (0.37) NPC1MEN1KMT2AACKR3POLB
SCHEMBL13747080 0.89 MEN1 (0.40) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13747733 0.87 MEN1 (0.37) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13747006 0.85 NPC1 (0.42) NPC1MEN1KMT2APOLBRAB9A
SCHEMBL13616052 0.84 NPC1 (0.39) NPC1MEN1KMT2AACKR3POLB
SCHEMBL13616406 0.84 NPC1 (0.39) NPC1MEN1KMT2AACKR3POLB
SCHEMBL13616106 0.84 MEN1 (0.38) NPC1MEN1KMT2AACKR3POLB

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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