SCHEMBL11792004

SCHEMBL11792004

CCCCCCCCCCCCc1cccc2nccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.45
LIPG Q9Y5X9 1/20 0.45
KCNH2 Q12809 1/20 0.44
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 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
SCHEMBL24788998 0.86 ALDH1A1 (0.46) KDM4EMEN1USP2ALDH1A1POLB
SCHEMBL6114571 0.80 TRPV1 (0.49) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6115077 0.80 TLR8 (0.51) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6114947 0.80 TRPV1 (0.49) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6114780 0.80 TLR8 (0.51) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6115058 0.80 TRPV1 (0.49) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6115046 0.80 TRPV1 (0.49) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6114475 0.80 TRPV1 (0.49) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6115265 0.80 TLR8 (0.51) TLR8LIPGKCNH2BIDMCL1
SCHEMBL6114788 0.80 TRPV1 (0.49) TLR8LIPGKCNH2BIDMCL1

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
US-3971725-A 2-Mercaptoquinoxaline-1-oxides, salts thereof and 2-(1-oxoquinoxalinyl)disulfides in detergent compositions COLGATE-PALMOLIVE COMPANY (US) 1976-07-27 US disclosed