SCHEMBL13645752

SCHEMBL13645752

CCOC(=O)c1csc(-c2cc(C)c(OC)c(Cl)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 5/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 5/20 0.48
CLK1 P49759 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HSP90AA1 P07900 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
HSD17B10 Q99714 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
SCHEMBL3240180 0.94 RAB9A (0.54) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL2764014 0.83 HPGD (0.63) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL9911662 0.82 RAB9A (0.60) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL5338937 0.81 RAB9A (0.58) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL18002724 0.81 RAB9A (0.61) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL15871928 0.78 RAB9A (0.58) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL13144514 0.76 MAPT (0.70) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL8345149 0.76 RAB9A (0.69) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL12582252 0.76 RAB9A (0.72) RAB9AGAAMAPTALDH1A1NPC1
SCHEMBL201788 0.75 RAB9A (0.67) RAB9AGAAMAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131952-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING THIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed