SCHEMBL11904068

SCHEMBL11904068

O=C(O)c1ccc2c(c1)C(=O)c1nc3ncccc3c(=O)n1-2

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 17/20 0.70
TDO2 P48775 6/20 0.50
IDO2 Q6ZQW0 6/20 0.50
APAF1 O14727 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MITF O75030 1/20 0.49
HSP90AA1 P07900 1/20 0.49
LMNA P02545 1/20 0.46
NTRK1 P04629 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPT P10636 1/20 0.46
PTGS2 P35354 1/20 0.46
HTT P42858 1/20 0.46
MAPK8 P45983 1/20 0.46
NTRK2 Q16620 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL4593450 0.85 IDO1 (0.65) IDO1TDO2IDO2
SCHEMBL9114978 0.84 TDO2 (0.70) IDO1TDO2IDO2APAF1NPC1
SCHEMBL14442332 0.83 IDO1 (1.00) IDO1TDO2IDO2APAF1NPC1
SCHEMBL4587505 0.81 IDO1 (1.00) IDO1TDO2IDO2APAF1NPC1
SCHEMBL4586115 0.81 IDO1 (0.75) IDO1TDO2IDO2APAF1NPC1
SCHEMBL4593677 0.81 IDO1 (1.00) IDO1TDO2IDO2APAF1NPC1
SCHEMBL4593735 0.81 IDO1 (0.75) IDO1TDO2IDO2APAF1NPC1
SCHEMBL11983614 0.81 IDO1 (0.72) IDO1TDO2IDO2APAF1NPC1
SCHEMBL5620064 0.79 IDO1 (1.00) IDO1TDO2IDO2APAF1NPC1
SCHEMBL6808751 0.79 IDO1 (0.72) IDO1TDO2IDO2APAF1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594524-B1 USE OF TRYPTANTHRIN COMPOUNDS FOR IMMUNE POTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-08-15 EP claimed