SCHEMBL4369904

SCHEMBL4369904

ONC(=Nc1ccccc1Cl)c1nonc1[AsH2]

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.71
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.45
TDO2 P48775 1/20 0.41
LMNA P02545 2/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL2517582 0.83 IDO1 (1.00) IDO1ALDH1A1MAPTTDO2LMNA
SCHEMBL4540245 0.74 IDO1 (0.54) IDO1TDO2LMNAPOLBHPGD
SCHEMBL2516757 0.73 IDO1 (0.81) IDO1MAPTTDO2LMNAPOLB
SCHEMBL4369902 0.72 HIF1A (0.39) IDO1ALDH1A1MAPTLMNAPOLB
SCHEMBL4369896 0.72 HIF1A (0.39) IDO1ALDH1A1MAPTLMNAPOLB
SCHEMBL2512502 0.71 IDO1 (0.77) IDO1MAPTTDO2LMNAPOLB
SCHEMBL2512491 0.71 IDO1 (0.77) IDO1ALDH1A1MAPTTDO2LMNA
SCHEMBL2520395 0.68 IDO1 (0.72) IDO1ALDH1A1MAPTTDO2LMNA
SCHEMBL2514961 0.68 IDO1 (0.72) IDO1ALDH1A1MAPTTDO2LMNA
SCHEMBL2515416 0.67 IDO1 (0.71) IDO1MAPTTDO2LMNAPOLB

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-1879573-A4 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORP (US) 2009-07-08 EP claimed
EP-1879573-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Corporation (US) 2008-01-23 EP claimed
WO-2006122150-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2006-11-16 WO claimed