SCHEMBL27497404

SCHEMBL27497404

Cn1c([C]=O)cc2c(OCc3ccccc3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SRD5A2 P31213 3/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ AS3MT Q9HBK9 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ SRD5A1 P18405 1/20 0.41
▸ MRGPRX4 Q96LA9 4/20 0.40
▸ LIPE Q05469 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ F9 P00740 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL5005325 0.79 SRD5A2 (0.61) MAPTMAPK1TDP1L3MBTL1SRD5A2
SCHEMBL4998185 0.77 SRD5A2 (0.50) MAPTMAPK1TDP1L3MBTL1SRD5A2
SCHEMBL27513302 0.77 SRD5A2 (0.53) MAPTMAPK1TDP1L3MBTL1SRD5A2
SCHEMBL12803818 0.76 MAPT (0.45) MAPTMAPK1TDP1L3MBTL1SRD5A2
SCHEMBL12260288 0.76 LIPE (0.52) MAPTMAPK1TDP1L3MBTL1SRD5A2
SCHEMBL7877768 0.76 SRD5A2 (0.52) MAPTMAPK1TDP1L3MBTL1SRD5A2
SCHEMBL12419263 0.75 LIPE (0.48) MAPTMAPK1TDP1L3MBTL1SRD5A2
SCHEMBL4997665 0.74 SRD5A2 (0.47) MAPTMAPK1TDP1L3MBTL1SRD5A2
SCHEMBL5132653 0.72 MAPT (0.53) MAPTSRD5A2NPC1RAB9ASRD5A1
SCHEMBL769005 0.72 RHEB (0.55) MAPTMAPK1TDP1L3MBTL1SRD5A2

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
CN-1216864-C Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2005-08-31 — — CN disclosed
CN-1387513-A Positive modulators of nicotinic receptor agonists ASTRAZENECA AB (SE) 2002-12-25 — — CN disclosed
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