SCHEMBL6934524

SCHEMBL6934524

O=C(Nc1ccc(F)cc1)c1ccc(OCF)cn1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
P4HTM Q9NXG6 2/20 0.55
BACE1 P56817 10/20 0.49
BACE2 Q9Y5Z0 7/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.47
PRKAA2 P54646 1/20 0.47
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47

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
SCHEMBL6934432 0.84 SMN1; SMN2 (0.61) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL21096166 0.82 KMT2A (0.56) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL15705171 0.82 NPC1 (0.62) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL6874915 0.81 NPC1 (0.69) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL17741237 0.79 BACE1 (0.43) SMN1; SMN2P4HTMBACE1BACE2
SCHEMBL16006837 0.77 RAB9A (0.66) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL31277715 0.77 NPC1 (0.63) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL18707493 0.76 BACE1 (0.53) BACE1BACE2
SCHEMBL21096059 0.76 SMN1; SMN2 (0.70) NPC1ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL14658652 0.76 NPC1 (0.61) NPC1ALDH1A1GAARAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011009943-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2011-01-27 WO disclosed