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SCHEMBL1760286

SCHEMBL1760286

CCOc1ccc(CC(=O)Nc2ccc(CCC3COC(N)=N3)cc2)cc1.COc1ccc(C(=O)Nc2ccc(CCC3COC(N)=N3)cc2)cc1.COc1ccc(CC(=O)Nc2ccc(CCC3COC(N)=N3)cc2)cc1.NC1=NC(CCc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)CO1.NC1=NC(CCc2ccc(NC(=O)Cc3ccc(F)cc3)cc2)CO1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.44
▸ TP53 P04637 1/20 0.43

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
SCHEMBL1760284 1.00 NPC1 (0.48) NPC1POLBRAB9ASMN1; SMN2KDM4E
SCHEMBL1760010 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1760012 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1759956 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1759955 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1759998 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1759995 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1759783 0.83 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1760027 0.83 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1759779 0.83 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A

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-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 — — EP disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 — — WO disclosed