SCHEMBL29437643

SCHEMBL29437643

CCCCCCc1cccc2sc(SN(Cl)Cl)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
KCNH2 Q12809 1/20 0.38
TLR8 Q9NR97 8/20 0.37
LIPG Q9Y5X9 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
BID P55957 3/20 0.34
MCL1 Q07820 3/20 0.34
BCL2L1 Q07817 2/20 0.34
BAK1 Q16611 2/20 0.34
KAT8 Q9H7Z6 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
EP300 Q09472 1/20 0.34
KAT2A Q92830 1/20 0.34
KAT2B Q92831 1/20 0.34
KAT5 Q92993 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL29494843 0.88 PTGS2 (0.44) PTGS2KCNH2TLR8LIPGHSP90AA1
SCHEMBL28375837 0.83 PTGS2 (0.47) PTGS2KCNH2TLR8LIPGHSP90AA1
SCHEMBL9237169 0.83 PTGS2 (0.47) PTGS2KCNH2TLR8LIPGHSP90AA1
SCHEMBL23174999 0.83 PTGS2 (0.47) PTGS2KCNH2TLR8LIPGHSP90AA1
SCHEMBL28701435 0.83 PTGS2 (0.47) PTGS2KCNH2TLR8LIPGHSP90AA1
SCHEMBL2671226 0.82 PTGS2 (0.45) PTGS2KCNH2TLR8LIPGHSP90AA1
SCHEMBL28359937 0.80 PTGS2 (0.44) PTGS2KCNH2TLR8LIPGHSP90AA1
SCHEMBL503102 0.78 PTGS2 (0.41) PTGS2KCNH2TLR8HSP90AA1HSP90AB1
SCHEMBL583151 0.78 PTGS2 (0.41) PTGS2KCNH2TLR8HSP90AA1HSP90AB1
SCHEMBL30305194 0.78 PTGS2 (0.41) PTGS2KCNH2TLR8HSP90AA1HSP90AB1

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
CN-111315588-B Tyre for vehicle wheels 株式会社普利司通 2022-03-29 CN disclosed