SCHEMBL28015709

SCHEMBL28015709

[CH2]c1c(-c2ccccc2)ccc2sc(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTRK1 P04629 1/20 0.35
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL28015173 0.84 HSD11B1 (0.38) RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL28015124 0.83 KMT2A (0.39) RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL28015695 0.83 NPC1 (0.35) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL28015735 0.80 RAB9A (0.37) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL28015742 0.80 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL900791 0.78 ALOX5 (0.43) ALOX5RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL28015190 0.75 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL18137264 0.75 HPRT1 (0.43) ALOX5RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL906904 0.74 TLR8 (0.42) ALOX5RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL28015664 0.74 HSD11B1 (0.40) RAB9ANPC1SMN1; SMN2MAPTHTT

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
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed