SCHEMBL4433080

SCHEMBL4433080

CCCCCCc1ccccc1C(=O)NN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.51
BID P55957 3/20 0.48
MCL1 Q07820 3/20 0.48
BCL2L1 Q07817 2/20 0.48
BAK1 Q16611 2/20 0.48
KAT8 Q9H7Z6 2/20 0.48
NAAA Q02083 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
EP300 Q09472 1/20 0.48
KAT2A Q92830 1/20 0.48
KAT2B Q92831 1/20 0.48
KAT5 Q92993 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SLC16A3 O15427 2/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
CTSD P07339 1/20 0.46

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
SCHEMBL1545821 0.98 HTT (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL4054015 0.93 HTT (0.50) LIPGNAAATSHRHTTSLC16A3
SCHEMBL27690336 0.87 LIPG (0.51) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL11039198 0.87 LIPG (0.51) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL961838 0.87 HTT (0.42) LIPGNAAATSHRHTTSLC16A3
SCHEMBL30286812 0.86 CTSD (0.51) TSHRHTTCTSD
SCHEMBL15923268 0.85 HTT (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL27362437 0.84 LIPG (0.49) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL27379961 0.84 NAAA (0.68) NAAATSHRHTT
SCHEMBL7589245 0.84 HTT (0.45) LIPGBIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO disclosed