SCHEMBL4540239

SCHEMBL4540239

Cc1ccc(N/C(=N/O)c2nonc2[AsH2])cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4540243 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2518268 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2518271 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4540245 0.76 IDO1 (0.54) LMNAHPGDHTT
SCHEMBL4369896 0.75 HIF1A (0.39) ALDH1A1SMN1; SMN2RAB9ALMNAKMT2A
SCHEMBL2519338 0.74 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL12230806 0.74 LMNA (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2519337 0.74 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHPGDHTT
SCHEMBL4368291 0.72 GRM4 (0.44)
SCHEMBL4368296 0.72 GRM4 (0.44)

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