SCHEMBL6003092

SCHEMBL6003092

[CH2]COC(=O)Nc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 2/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.46
TSHR P16473 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
SCHEMBL4826133 0.83 ALDH1A1 (0.62) RAB9ANPC1SMN1; SMN2NPSR1MAPT
SCHEMBL19941430 0.81 RAB9A (0.55) RAB9ANPC1SMN1; SMN2NPSR1MAPT
SCHEMBL513735 0.80 RAB9A (0.62) RAB9ANPC1SMN1; SMN2NPSR1MAPT
SCHEMBL2091531 0.80 HTT (0.51) RAB9ANPC1SMN1; SMN2MAPTPOLB
SCHEMBL19938055 0.80 NPC1 (0.54) RAB9ANPC1SMN1; SMN2NPSR1MAPT
SCHEMBL6002183 0.79 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13032946 0.79 MAPT (0.52) RAB9ANPC1SMN1; SMN2NPSR1MAPT
SCHEMBL513736 0.78 RAB9A (0.64) RAB9ANPC1SMN1; SMN2NPSR1MAPT
SCHEMBL10415979 0.78 SMN1; SMN2 (0.66) RAB9ANPC1SMN1; SMN2NPSR1MAPT
SCHEMBL734966 0.77 ALDH1A1 (0.72) RAB9ANPC1MAPTPOLBALDH1A1

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed