SCHEMBL11904773

SCHEMBL11904773

[CH2]CCC/C=C/c1ccc2c(c1)C(=O)c1nc3ncccc3c(=O)n1-2

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 18/20 0.59
TDO2 P48775 2/20 0.40
IDO2 Q6ZQW0 1/20 0.40
APAF1 O14727 1/20 0.40

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
SCHEMBL11904140 0.86 IDO1 (0.54) IDO1TDO2IDO2APAF1
SCHEMBL11904139 0.86 IDO1 (0.54) IDO1TDO2IDO2APAF1
SCHEMBL4593270 0.84 IDO1 (0.54) IDO1TDO2
SCHEMBL6807657 0.84 IDO1 (0.54) IDO1TDO2
SCHEMBL6808994 0.82 IDO1 (0.52) IDO1TDO2IDO2
SCHEMBL14442332 0.75 IDO1 (1.00) IDO1TDO2IDO2APAF1
SCHEMBL4593735 0.74 IDO1 (0.75) IDO1TDO2IDO2APAF1
SCHEMBL4587505 0.74 IDO1 (1.00) IDO1TDO2IDO2APAF1
SCHEMBL4593677 0.74 IDO1 (1.00) IDO1TDO2IDO2APAF1
SCHEMBL4586115 0.74 IDO1 (0.75) IDO1TDO2IDO2APAF1

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