SCHEMBL28015656

SCHEMBL28015656

[CH2]c1ccc2sc(C)nc2c1-c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HSD11B1 P28845 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
LMNA P02545 3/20 0.33
PDE10A Q9Y233 1/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 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
SCHEMBL16998377 0.85 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL28015666 0.83 ALDH1A1 (0.37) RAB9ANPC1ALDH1A1KDM4EPTGS1
SCHEMBL28015735 0.81 RAB9A (0.37) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL16762229 0.81 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL28015158 0.77 HSD11B1 (0.38) RAB9ANPC1KDM4EHPGDHSD17B10
SCHEMBL28015710 0.75 IKBKE (0.39) RAB9ANPC1HSD11B1PTGS1PTGS2
SCHEMBL2615997 0.71 LMNA (0.61) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL28015149 0.71 NPC1 (0.46) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL28015664 0.70 HSD11B1 (0.40) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL28015705 0.69 KDM4E (0.38) RAB9ANPC1ALDH1A1KDM4EMGAM

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