SCHEMBL8936281

SCHEMBL8936281

O=C(O)c1sccc1C=Cc1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
DAO P14920 1/20 0.39
PPARA Q07869 1/20 0.39
GUSB P08236 1/20 0.38
NR1H2 P55055 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
JAK2 O60674 1/20 0.36
EGFR P00533 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
GPR35 Q9HC97 1/20 0.35
AXL P30530 1/20 0.35
LMNA P02545 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
SCHEMBL8936275 1.00 ALOX5 (0.43) ALOX5LCKFYNDAOPPARA
SCHEMBL8247749 0.78 DAO (0.39) LCKDAOPTPN2PTPN1GPR35
SCHEMBL8936299 0.73 ALOX5 (0.42) ALOX5PPARAGUSBNR1H2TAS1R3
SCHEMBL8936295 0.73 ALOX5 (0.42) ALOX5PPARAGUSBNR1H2TAS1R3
SCHEMBL4210038 0.72 ALOX5 (0.59) ALOX5PPARAGUSBNR1H2TAS1R3
SCHEMBL4210041 0.72 ALOX5 (0.59) ALOX5PPARAGUSBNR1H2TAS1R3
SCHEMBL1493596 0.71 PTPN2 (0.44) PTPN2PTPN1GPR35AXLLMNA
SCHEMBL1126746 0.70 HCAR2 (0.54) ALOX5PPARAGUSBTAS1R3TAS1R1
SCHEMBL12924107 0.70 HCAR2 (0.54) ALOX5PPARAGUSBTAS1R3TAS1R1
SCHEMBL1126747 0.70 HCAR2 (0.54) ALOX5PPARAGUSBTAS1R3TAS1R1

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
WO-1996031469-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed