SCHEMBL6469458

SCHEMBL6469458

O=C(c1cnc([AsH]c2ccncc2)s1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CTSD P07339 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
SCHEMBL5634010 0.78 MAPK13 (0.57) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL2470790 0.74 MAPK13 (0.47) GAAMAPK13MAPK12MAPK11MAPK14
SCHEMBL6644387 0.72 SMN1; SMN2 (0.61) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL14517067 0.71 ALDH1A1 (0.47) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL975117 0.68 ALDH1A1 (0.68) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL11903255 0.68 ALDH1A1 (0.54) SMN1; SMN2GAAHTTNCOA1NCOA3
Pyridine SCHEMBL27540706 0.67 ALDH1A1 (0.56) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL6942456 0.66 HTT (0.63) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL7112516 0.66 NPC1 (0.61) SMN1; SMN2GAAHTTNCOA1NCOA3
SCHEMBL1207703 0.65 ALDH1A1 (0.48) SMN1; SMN2GAAHTTNCOA1NCOA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539722-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-15 EP disclosed
WO-2004014884-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-19 WO disclosed