SCHEMBL4585590

SCHEMBL4585590

CC(C)COC(=O)N1CCN(c2cc3nc4n(c(=O)c3cc2F)-c2ccc(I)cc2C4=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.48
TDO2 P48775 13/20 0.48
IDO2 Q6ZQW0 7/20 0.48
HTT P42858 2/20 0.44
MAPT P10636 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL12289910 0.88 IDO1 (0.49) IDO1TDO2IDO2HTTMEN1
SCHEMBL6807692 0.87 IDO1 (0.60) IDO1TDO2IDO2HTTMEN1
SCHEMBL11904132 0.85 TDO2 (0.49) IDO1TDO2IDO2MEN1KMT2A
SCHEMBL9105433 0.78 TDO2 (0.61) IDO1TDO2IDO2MEN1KMT2A
SCHEMBL9107620 0.78 IDO1 (0.48) IDO1TDO2IDO2MAPTLMNA
SCHEMBL9102861 0.74 TDO2 (0.49) IDO1TDO2IDO2MEN1KMT2A
SCHEMBL4593874 0.68 TDO2 (0.67) IDO1TDO2IDO2HTTMAPT
SCHEMBL17832376 0.68 TDO2 (0.75) IDO1TDO2IDO2MEN1KMT2A
SCHEMBL12289879 0.67 TDO2 (0.54) IDO1TDO2IDO2MAPTMEN1
SCHEMBL17830818 0.66 IDO1 (0.83) IDO1TDO2IDO2MEN1KMT2A

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