SCHEMBL2045956

SCHEMBL2045956

C=Cc1ccc(C(=S)S)c(Cc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
ALOX5 P09917 1/20 0.35
MCL1 Q07820 2/20 0.35
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
PTPN1 P18031 3/20 0.34
PTPN2 P17706 1/20 0.34
PTPN6 P29350 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 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
SCHEMBL2049604 0.82 SLC5A2 (0.43) SLC5A1SLC5A2ALDH1A1TSHRCYP3A4
SCHEMBL21633505 0.81 FAAH (0.34) BCL2BCL2L1SLC5A1SLC5A2ALDH1A1
SCHEMBL10932119 0.78 MCL1 (0.35) MCL1
SCHEMBL7584267 0.77 MEN1 (0.58) BCL2BCL2L1ALOX5PTPN1PTPN2
SCHEMBL7573416 0.77 BCL2 (0.42) BCL2BCL2L1ALOX5SLC5A2PTPN1
SCHEMBL9307175 0.76 MEN1 (0.57) BCL2BCL2L1ALOX5ALDH1A1TSHR
SCHEMBL6270999 0.76 TSHR (0.49) BCL2BCL2L1ALOX5PTPN1ALDH1A1
SCHEMBL7572805 0.75 BCL2 (0.40) BCL2BCL2L1ALOX5PTPN1PTPN2
SCHEMBL7582814 0.73 ALDH1A1 (0.49) ALDH1A1TSHRMEN1HPGDKMT2A
SCHEMBL7582708 0.73 MEN1 (0.40) BCL2BCL2L1ALDH1A1MEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883912-B2 Synthesis of arborescent polymers via controlled inimer-type reversible addition-fragmentation chain transfer (RAFT) polymerization UNIVERSITY OF AKRON (US) 2014-11-11 US disclosed
US-20110144268-A1 SYNTHESIS OF ARBORESCENT POLYMERS VIA CONTROLLED INIMER-TYPE REVERSIBLE ADDITION-FRAGMENTATION CHAIN TRANSFER (RAFT) POLYMERIZATION THE UNIVERSITY OF AKRON (US) 2011-06-16 US disclosed
WO-2010019563-A1 SYNTHESIS OF ARBORESCENT POLYMERS VIA CONTROLLED INIMER-TYPE REVERSIBLE ADDITION-FRAGMENTATION CHAIN TRANSFER (RAFT) POLYMERIZATION THE UNIVERSITY OF AKRON (US) 2010-02-18 WO disclosed