SCHEMBL28015705

SCHEMBL28015705

[CH2]c1ccc2sc(C)nc2c1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MAPT P10636 3/20 0.37
HK1 P19367 1/20 0.37
HTT P42858 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TRPM8 Q7Z2W7 3/20 0.36
GCGR P47871 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL28015710 0.84 IKBKE (0.39) ADORA3MGAMGAASIMGAM2
SCHEMBL2165945 0.80 KDM4E (0.38) KDM4EADORA3MGAMGAASI
SCHEMBL28015666 0.75 ALDH1A1 (0.37) KDM4EMGAMGAASIMGAM2
SCHEMBL28015158 0.74 HSD11B1 (0.38) KDM4EMAPTHTTNPC1RAB9A
SCHEMBL16720191 0.73 KDM4E (0.38) KDM4EADORA3MGAMGAASI
SCHEMBL6826494 0.71 MAP4K4 (0.39) KDM4EADORA3MAPTMEN1KMT2A
SCHEMBL2093692 0.71 ADORA2A (0.43) KDM4EADORA3MGAMGAASI
SCHEMBL28819179 0.70 ADORA3 (0.49) KDM4EADORA3MGAMGAASI
SCHEMBL28015656 0.69 RAB9A (0.36) KDM4EMGAMGAASIMGAM2
SCHEMBL6825688 0.69 MAP4K4 (0.37) KDM4EADORA3MAPTMEN1KMT2A

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