SCHEMBL9514548

SCHEMBL9514548

Oc1cccc(C=Cc2nc(-c3ccccc3)cs2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
LCK P06239 2/20 0.46
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CYP19A1 P11511 1/20 0.44
PARP1 P09874 1/20 0.43
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
ADAMTS5 Q9UNA0 1/20 0.42
VCP P55072 1/20 0.42
KDM1A O60341 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL9514540 1.00 ALOX5 (0.51) ALOX5HSD17B1HSD17B2LCKCYSLTR2
SCHEMBL9514841 0.83 CYP19A1 (0.54) KDM4EALDH1A1HPGDCYP19A1PARP1
SCHEMBL5777558 0.83 CYP19A1 (0.54) KDM4EALDH1A1HPGDCYP19A1PARP1
SCHEMBL7478874 0.83 NR1H4 (0.52) KDM4EALDH1A1PARP1MEN1NPC1
SCHEMBL7478870 0.83 NR1H4 (0.52) KDM4EALDH1A1PARP1MEN1NPC1
SCHEMBL19196288 0.81 PARP1 (0.43) KDM4EALDH1A1HPGDPARP1ADAMTS5
SCHEMBL9514907 0.78 ALB (0.48) KDM4EALDH1A1HPGDPARP1MEN1
SCHEMBL28479905 0.77 MAPT (0.50) KDM4EALDH1A1HPGDPARP1MEN1
SCHEMBL17336957 0.76 KMO (0.51) KDM4EALDH1A1PARP1MEN1NPC1
SCHEMBL17336959 0.76 KMO (0.51) KDM4EALDH1A1PARP1MEN1NPC1

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