SCHEMBL8936299

SCHEMBL8936299

Brc1sccc1C=Cc1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
NR1H2 P55055 1/20 0.38
GUSB P08236 1/20 0.33
PELI1 Q96FA3 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARA Q07869 2/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL8936295 1.00 ALOX5 (0.42) ALOX5NR1H2GUSBPELI1POLB
SCHEMBL4210038 0.77 ALOX5 (0.59) ALOX5NR1H2GUSBPOLBMAPT
SCHEMBL4210041 0.77 ALOX5 (0.59) ALOX5NR1H2GUSBPOLBMAPT
SCHEMBL8936275 0.73 ALOX5 (0.43) ALOX5NR1H2GUSBTAS1R3TAS1R1
SCHEMBL8936281 0.73 ALOX5 (0.43) ALOX5NR1H2GUSBTAS1R3TAS1R1
SCHEMBL19076191 0.72 ALOX5 (0.47) ALOX5NR1H2GUSBPOLBMAPT
SCHEMBL19129248 0.71
SCHEMBL22322786 0.71
SCHEMBL16053571 0.70 NPC1 (0.34) POLBMAPTSMN1; SMN2
SCHEMBL16053570 0.70 NPC1 (0.34) POLBMAPTSMN1; SMN2

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