SCHEMBL28819123

SCHEMBL28819123

[CH2]c1c(C)ccc2sc(-c3ccccc3Cl)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
AGPAT2 O15120 1/20 0.40
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGS2 P35354 3/20 0.36
PLA2G7 Q13093 1/20 0.36

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
SCHEMBL2095718 0.72 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2098418 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL16998377 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL28819179 0.69 ADORA3 (0.49) KDM4EGAAMGAMSIMGAM2
SCHEMBL2095721 0.68 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL29829782 0.68 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL2139236 0.68 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5056109 0.67 KDM4E (0.56) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL2248616 0.65 MAPT (0.58) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL10779720 0.64 ALDH1A1 (0.61) ALDH1A1KDM4EAGPAT2MAPTNPC1

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