SCHEMBL9518151

SCHEMBL9518151

O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1cccc(C=Cc2nc3ccccc3s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
APEX1 P27695 1/20 0.50
ALOX5 P09917 1/20 0.48
EPHX2 P34913 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
GRM4 Q14833 1/20 0.41

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
SCHEMBL9518140 1.00 GRK2 (0.50) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL9518146 1.00 GRK2 (0.50) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL9516876 0.86 TDP1 (0.38) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL9516859 0.86 TDP1 (0.38) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL9516869 0.78 TDP1 (0.38) TDP1ALOX5EPHX2MAPTGAA
SCHEMBL9514448 0.78 ALOX5 (0.53) TDP1ALOX5EPHX2MAPTGAA
SCHEMBL5778978 0.77 ALB (0.58) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL5777169 0.77 ALB (0.58) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL9514441 0.77 POLB (0.56) TDP1L3MBTL1ALOX5EPHX2MAPT
SCHEMBL9515511 0.74 MAPT (0.53) TDP1L3MBTL1ALOX5EPHX2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 EP disclosed