SCHEMBL5015098

SCHEMBL5015098

[O]c1cccc2sc(N3CCN(CCCCCCc4ccccc4)CC3)nc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.50
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 4/20 0.46
HTR7 P34969 4/20 0.46
CCR3 P51677 1/20 0.46
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL27645227 0.86 SIGMAR1 (0.49) SIGMAR1NPC1MEN1RAB9AKMT2A
SCHEMBL5063380 0.84 RAB9A (0.67) SIGMAR1NPC1MEN1RAB9AKMT2A
SCHEMBL2095137 0.75 MAPT (0.48) NPC1MEN1RAB9AKMT2AHTR1A
SCHEMBL2091149 0.73 SMN1; SMN2 (0.68) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL5063385 0.72 RAB9A (0.67) NPC1MEN1RAB9AKMT2AMAPT
SCHEMBL8092982 0.72 SIGMAR1 (0.85) SIGMAR1MEN1KMT2ACCR3
SCHEMBL5015038 0.72 RAB9A (0.50) NPC1MEN1RAB9AKMT2AMAPT
SCHEMBL5015059 0.71 SMN1; SMN2 (0.51) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL2091074 0.70 MAPT (0.40) NPC1MEN1RAB9AKMT2AMAPT
SCHEMBL5015014 0.70 MAPT (0.43) NPC1MEN1RAB9AKMT2AMAPT

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