SCHEMBL28015191

SCHEMBL28015191

[CH2]c1ccc2scnc2c1-c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.37
MPL P40238 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GSTO1 P78417 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL28015074 0.78 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4E
SCHEMBL28015666 0.74 ALDH1A1 (0.37) ALDH1A1KDM4ENPC1RAB9A
SCHEMBL744132 0.69 SMN1; SMN2 (0.46) MAPK14ALDH1A1HSD17B10KDM4ENPC1
SCHEMBL25511509 0.69 MPL (0.46) MAPK14MPLALDH1A1GSTO1NPC1
SCHEMBL30166481 0.69 MPL (0.46) MAPK14MPLALDH1A1GSTO1NPC1
Benzene SCHEMBL27538848 0.68 SMN1; SMN2 (0.44) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL2092932 0.67 MPL (0.40) MAPK14MPLALDH1A1KDM4EGSTO1
SCHEMBL2095688 0.67 MAPK14 (0.42) MAPK14MPLALDH1A1HSD17B10KDM4E
Hydrazine SCHEMBL27575629 0.66 SMN1; SMN2 (0.47) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL30713695 0.66 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4E

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