SCHEMBL2928530

SCHEMBL2928530

[AsH2]c1ccccc1-c1nc2cccnc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
PDK1 Q15118 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 5/20 0.45
MAPT P10636 5/20 0.45
KDM4E B2RXH2 6/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 3/20 0.44
MAPK1 P28482 2/20 0.44
AHR P35869 1/20 0.42
ALOX15 P16050 1/20 0.42
THRB P10828 1/20 0.42
GLA P06280 2/20 0.42
RUNX1 Q01196 1/20 0.42
CBFB Q13951 1/20 0.42

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
SCHEMBL11646035 0.82 POLB (0.57) NPC1RAB9APDK1ALDH1A1LMNA
SCHEMBL13998719 0.81 NPC1 (0.49) NPC1RAB9APDK1ALDH1A1LMNA
SCHEMBL983700 0.81 MAPT (0.61) NPC1RAB9APDK1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2906176 0.79 MAPT (0.59) NPC1RAB9APDK1ALDH1A1LMNA
SCHEMBL13052956 0.78 NPC1 (0.56) NPC1RAB9APDK1ALDH1A1LMNA
SCHEMBL13310867 0.77 PDK1 (0.58) NPC1RAB9APDK1ALDH1A1LMNA
SCHEMBL24795860 0.76 NPC1 (0.56) NPC1RAB9APDK1ALDH1A1LMNA
SCHEMBL984667 0.75 GAA (0.49) NPC1RAB9APDK1ALDH1A1LMNA
SCHEMBL2902912 0.75 MAPT (0.54) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL13998684 0.74 KDM4E (0.61) NPC1RAB9APDK1ALDH1A1LMNA

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-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed