SCHEMBL27645256

SCHEMBL27645256

FC(F)(F)c1ccc(CC2CCN(c3nc4ccccc4s3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.49
NPC1 O15118 8/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDE10A Q9Y233 2/20 0.48
RPS6KB1 P23443 1/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL27645203 0.87 RAB9A (0.64) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL27645193 0.85 RAB9A (0.55) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL2094261 0.83 RPS6KB1 (0.44) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL2094258 0.83 RPS6KB1 (0.44) RAB9ANPC1SMN1; SMN2RPS6KB1MAPT
SCHEMBL27644961 0.80 SCD (0.55) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL27644895 0.80 NPC1 (0.52) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL27644341 0.77 RAB9A (0.55) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL13181131 0.77 RAB9A (0.63) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4703345 0.77 RAB9A (0.56) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4849763 0.77 RAB9A (0.56) RAB9ANPC1KMT2AMEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed