SCHEMBL16686040

SCHEMBL16686040

Cn1ncc2cc(NC(=O)O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ ALOX12 P18054 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ NOTUM Q6P988 1/20 0.60
▸ MAOB P27338 3/20 0.59
▸ MAOA P21397 2/20 0.59
▸ ACHE P22303 1/20 0.59
▸ CDC7 O00311 1/20 0.49
▸ TRPM5 Q9NZQ8 1/20 0.49
▸ PDE1C Q14123 1/20 0.48
▸ NAMPT P43490 2/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ CREBBP Q92793 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ TGFBR1 P36897 1/20 0.45
▸ CACNA1H O95180 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.44

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
SCHEMBL4898390 0.88 TRPV1 (0.52) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL29510910 0.84 NPC1 (0.78) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL26630402 0.82 NPC1 (0.55) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL31036105 0.81 NOTUM (0.61) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL4922780 0.81 MAOB (0.59) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL16406932 0.80 NOTUM (0.54) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL19662760 0.80 NPC1 (0.64) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL4048302 0.78 HTR2A (0.55) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL30279147 0.78 CDC7 (0.55) NPC1ALDH1A1MAPTHPGDALOX12
SCHEMBL8311439 0.78 CDC7 (0.55) NPC1ALDH1A1MAPTHPGDALOX12

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-2015066413-A1 OXAZOLIDINONE HYDROXAMIC ACID COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-05-07 — — WO disclosed
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