SCHEMBL5015016

SCHEMBL5015016

Oc1cccc2sc(N3CCN(Cc4ccccc4)C(Cc4ccccc4)C3)nc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40

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
SCHEMBL5015014 0.90 MAPT (0.43) MAPTNPC1MEN1RAB9AKMT2A
SCHEMBL27666179 0.84 RAB9A (0.62) MAPTNPC1MEN1RAB9AKMT2A
SCHEMBL5063385 0.80 RAB9A (0.67) MAPTNPC1MEN1RAB9AKMT2A
SCHEMBL2091076 0.80 MAPT (0.40) MAPTNPC1MEN1RAB9AKMT2A
SCHEMBL2095141 0.78 MAPT (0.48) MAPTNPC1MEN1RAB9AKMT2A
SCHEMBL2091153 0.69 SMN1; SMN2 (0.68) MAPTNPC1RAB9ALMNAL3MBTL1
SCHEMBL2091074 0.69 MAPT (0.40) MAPTNPC1MEN1RAB9AKMT2A
SCHEMBL2098419 0.69 MAPT (0.40) MAPTNPC1RAB9ALMNAL3MBTL1
SCHEMBL5013361 0.69 MEN1 (0.52) MAPTNPC1MEN1RAB9AKMT2A
SCHEMBL5063380 0.69 RAB9A (0.67) MAPTNPC1MEN1RAB9AKMT2A

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
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed