SCHEMBL4585834

SCHEMBL4585834

O=C(O)CCC(=O)OCCNCc1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(Cl)ccc1-3

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.51
IDO1 P14902 15/20 0.46
TDO2 P48775 14/20 0.42
IDO2 Q6ZQW0 8/20 0.42
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 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
SCHEMBL4585839 0.80 APAF1 (0.51) APAF1IDO1TDO2IDO2MEN1
SCHEMBL12541655 0.80 APAF1 (0.50) APAF1IDO1TDO2IDO2MEN1
SCHEMBL4587829 0.70 APAF1 (0.46) APAF1IDO1TDO2IDO2MEN1
SCHEMBL30639101 0.70 APAF1 (0.67) APAF1IDO1TDO2IDO2MEN1
SCHEMBL4586346 0.70 APAF1 (0.60) APAF1IDO1TDO2IDO2MEN1
SCHEMBL12541535 0.69 APAF1 (0.59) APAF1IDO1TDO2IDO2MEN1
SCHEMBL9100596 0.69 APAF1 (1.00) APAF1IDO1TDO2IDO2MEN1
SCHEMBL30639109 0.69 APAF1 (0.58) APAF1IDO1TDO2IDO2MEN1
SCHEMBL30639091 0.69 APAF1 (0.61) APAF1IDO1TDO2IDO2MEN1
SCHEMBL4586093 0.69 APAF1 (0.71) APAF1IDO1TDO2IDO2MEN1

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
EP-1594524-A4 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-09-03 EP claimed
EP-1594524-A2 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION CHIRON CORPORATION (US) 2005-11-16 EP claimed
WO-2004064759-A2 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION CHIRON CORPORATION (US) 2004-08-05 WO claimed