SCHEMBL4587834

SCHEMBL4587834

CCCCCCC(C(=O)OCC)N(C)c1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(Cl)ccc1-3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.47
IDO1 P14902 13/20 0.45
TDO2 P48775 8/20 0.40
IDO2 Q6ZQW0 7/20 0.40
EGFR P00533 1/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL4587829 0.80 APAF1 (0.46) APAF1IDO1TDO2IDO2EGFR
SCHEMBL9105478 0.79 APAF1 (0.57) APAF1IDO1TDO2IDO2EGFR
SCHEMBL4586346 0.76 APAF1 (0.60) APAF1IDO1TDO2IDO2EGFR
SCHEMBL4586352 0.76 APAF1 (0.57) APAF1IDO1TDO2IDO2EGFR
SCHEMBL12290137 0.75 APAF1 (0.44) APAF1IDO1TDO2IDO2EGFR
SCHEMBL9233005 0.75 APAF1 (0.58) APAF1IDO1TDO2IDO2EGFR
SCHEMBL9235681 0.73 APAF1 (0.56) APAF1IDO1TDO2IDO2EGFR
SCHEMBL11904697 0.73 APAF1 (0.60) APAF1IDO1TDO2IDO2EGFR
SCHEMBL4585839 0.73 APAF1 (0.51) APAF1IDO1TDO2IDO2EGFR
SCHEMBL12290014 0.70 APAF1 (0.59) 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