SCHEMBL13747733

SCHEMBL13747733

O=C1N=C(N2CCCCN2P(=O)(O)O)S/C1=C\c1cc(F)ccc1OC(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.37
▸ KMT2A Q03164 7/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ SIGMAR1 Q99720 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
SCHEMBL13746929 0.95 MEN1 (0.37) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13747082 0.94 MEN1 (0.37) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13616077 0.93 MEN1 (0.39) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13616078 0.92 MEN1 (0.37) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13747080 0.91 MEN1 (0.40) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13616072 0.88 MEN1 (0.38) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13616076 0.87 MEN1 (0.38) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13747010 0.87 NPC1 (0.38) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13616105 0.87 NPC1 (0.38) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL13616098 0.86 MEN1 (0.38) MEN1KMT2APOLBNPC1RAB9A

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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