SCHEMBL4898635

SCHEMBL4898635

CCCCCc1cccc(NC(=N)N)c1CCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
TLR8 Q9NR97 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36

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
SCHEMBL1955061 0.85 BID (0.44) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL28755193 0.84 BID (0.47) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL1955656 0.84 BID (0.47) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL1954579 0.84 BID (0.47) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL28755246 0.84 BID (0.47) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL28942089 0.84 BID (0.47) LIPGBIDMCL1BCL2L1BAK1
Biguanide SCHEMBL28502481 0.82 LIPG (0.46) LIPGALOX5PTGS2BIDMCL1
SCHEMBL15093444 0.82 POLB (0.50) LIPGALOX5PTGS2BIDMCL1
SCHEMBL29581266 0.82 POLB (0.50) LIPGALOX5PTGS2BIDMCL1
SCHEMBL2024699 0.82 BID (0.50) BIDMCL1BCL2L1BAK1KAT8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005026274-A1 COATING COMPOSITIONS CONTAINING A LEUCO DYE-AND A DIARYLGUANIDINE DYE HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2005-03-24 WO claimed
US-20050053870-A1 Leuco dye-containing coating compositions HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2005-03-10 US claimed
US-7462443-B2 Leuco dye-containing coating compositions HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2008-12-09 US disclosed
WO-2005026274-A1 COATING COMPOSITIONS CONTAINING A LEUCO DYE-AND A DIARYLGUANIDINE DYE HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2005-03-24 WO disclosed
US-20050053870-A1 Leuco dye-containing coating compositions HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2005-03-10 US disclosed