SCHEMBL27629540

SCHEMBL27629540

CCCCCc1cccc2ncsc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.42
LIPG Q9Y5X9 1/20 0.40
PTGS2 P35354 2/20 0.40
ALOX5 P09917 1/20 0.40
KCNH2 Q12809 1/20 0.40
CHRM1 P11229 1/20 0.38
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38

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
SCHEMBL9039950 0.98 TLR8 (0.43) TLR8LIPGPTGS2ALOX5KCNH2
Iodide SCHEMBL9039837 0.97 TLR8 (0.42) TLR8LIPGPTGS2ALOX5KCNH2
SCHEMBL25846907 0.88 ELANE (0.38) TLR8CHRM1
SCHEMBL5546143 0.84 CHRM1 (0.36) CHRM1
SCHEMBL5544643 0.83 CHRM1 (0.36) CHRM1
SCHEMBL5542368 0.82 CHRM1 (0.37) CHRM1
SCHEMBL763959 0.81 ALDH1A1 (0.41) KCNH2CHRM1
SCHEMBL5540249 0.78 ALDH1A1 (0.38) CHRM1
SCHEMBL2088956 0.76 ALOX5 (0.36) TLR8LIPGPTGS2ALOX5PPARA
SCHEMBL2088953 0.75 TYR (0.32) TLR8PTGS2ALOX5KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed