SCHEMBL4540245

SCHEMBL4540245

Cc1ccc(N=C(NO)c2nonc2[AsH2])cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 18/20 0.54
TDO2 P48775 1/20 0.54
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2518277 0.85 IDO1 (0.74) IDO1TDO2HTTGFERLMNA
SCHEMBL4540239 0.76 ALDH1A1 (0.41) HTTLMNAHPGD
SCHEMBL4540243 0.76 ALDH1A1 (0.41) HTTLMNAHPGD
SCHEMBL2519342 0.75 IDO1 (0.74) IDO1TDO2HTTGFERLMNA
SCHEMBL4369904 0.74 IDO1 (0.71) IDO1TDO2HTTGFERLMNA
SCHEMBL4368299 0.73 IDO1 (0.66) IDO1TDO2
SCHEMBL2520579 0.73 IDO1 (0.79) IDO1TDO2HTTGFERLMNA
SCHEMBL2514020 0.73 HTT (0.73) IDO1TDO2HTTGFERLMNA
SCHEMBL2516041 0.71 IDO1 (0.73) IDO1TDO2HTTGFERLMNA
SCHEMBL19808082 0.70 IDO1 (1.00) IDO1TDO2HTTGFERLMNA

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