SCHEMBL3932295

SCHEMBL3932295

Cc1cccc(-c2noc(CCO)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.71
▸ TDP1 Q9NUW8 6/20 0.71
▸ NPC1 O15118 5/20 0.71
▸ MAPK1 P28482 4/20 0.71
▸ L3MBTL1 Q9Y468 3/20 0.71
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ TSHR P16473 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ HTT P42858 1/20 0.61
▸ S1PR1 P21453 1/20 0.58
▸ S1PR3 Q99500 1/20 0.58
▸ GLA P06280 1/20 0.57
▸ TP53 P04637 1/20 0.56
▸ THRB P10828 1/20 0.55
▸ MAPT P10636 1/20 0.55

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
SCHEMBL96696 0.88 RAB9A (0.68) RAB9ATDP1NPC1MAPK1L3MBTL1
SCHEMBL21974272 0.84 RAB9A (0.69) RAB9ATDP1NPC1MAPK1L3MBTL1
SCHEMBL6324430 0.83 MAPK1 (0.73) RAB9ATDP1NPC1MAPK1L3MBTL1
SCHEMBL12866 0.83 RAB9A (0.69) RAB9ATDP1NPC1MAPK1L3MBTL1
SCHEMBL28957095 0.82 RAB9A (0.68) RAB9ATDP1NPC1MAPK1L3MBTL1
SCHEMBL96695 0.82 RAB9A (0.68) RAB9ATDP1NPC1MAPK1L3MBTL1
SCHEMBL1544640 0.82 RAB9A (0.68) RAB9ATDP1NPC1MAPK1L3MBTL1
SCHEMBL102445 0.82 RAB9A (0.66) RAB9ATDP1NPC1MAPK1L3MBTL1
SCHEMBL3938068 0.82 RAB9A (0.50) RAB9ATDP1NPC1MAPK1L3MBTL1
SCHEMBL19835591 0.81 TDP1 (0.62) RAB9ATDP1NPC1L3MBTL1SMN1; SMN2

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
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 — — EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 — — WO disclosed
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