SCHEMBL11084827

SCHEMBL11084827

CCOC(=O)c1cnc(NCc2ccc(OC)cc2)nc1O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ GAA P10253 2/20 0.58
▸ MAPT P10636 6/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ VNN1 O95497 6/20 0.53
▸ ADORA3 P0DMS8 1/20 0.52
▸ ADORA2A P29274 1/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ TP53 P04637 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ JAK3 P52333 1/20 0.46

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
SCHEMBL11090652 0.87 MAPT (0.62) RAB9ANPSR1MAPTALDH1A1VNN1
SCHEMBL11088479 0.87 NPSR1 (0.80) RAB9ANPSR1GAAMAPTALDH1A1
SCHEMBL11082372 0.85 KDM4E (0.58) RAB9ANPSR1GAAALDH1A1KDM4E
SCHEMBL34462331 0.85 NPSR1 (0.57) RAB9ANPSR1GAAMAPTALDH1A1
SCHEMBL11090074 0.84 NPSR1 (0.54) RAB9ANPSR1GAAMAPTALDH1A1
SCHEMBL34462267 0.84 NPSR1 (0.55) RAB9ANPSR1GAAMAPTALDH1A1
SCHEMBL34462261 0.84 NPSR1 (0.55) RAB9ANPSR1GAAMAPTALDH1A1
SCHEMBL34462269 0.82 SIRT5 (0.56) RAB9ANPSR1GAAMAPTALDH1A1
SCHEMBL18168179 0.80 MAPT (0.56) RAB9ANPSR1GAAMAPTALDH1A1
SCHEMBL11090716 0.79 RAB9A (0.53) RAB9ANPSR1MAPTALDH1A1LMNA

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
US-4447422-A Penicillins and compositions containing them BEECHAM GROUP P.1.C. (GB) 1984-05-08 — — US disclosed
EP-0067610-A1 Penicillins, a process for their preparation and compositions containing them BEECHAM GROUP PLC (GB) 1982-12-22 — — EP disclosed
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