SCHEMBL12830601

SCHEMBL12830601

C#CCOC(=O)c1c(-c2c(C)cccc2I)noc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
ADORA3 P0DMS8 2/20 0.43
POLB P06746 3/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL12308580 0.83 TSHR (0.60) TSHRHPGDMAPK1ADORA3POLB
SCHEMBL5776021 0.78 MAPT (0.56) TSHRHPGDMAPK1POLBALDH1A1
SCHEMBL12879083 0.73 PTGS2 (0.40) TSHRADORA3ALDH1A1MAPTGAA
SCHEMBL5796644 0.72 MAPT (0.48) TSHRHPGDMAPK1ADORA3POLB
SCHEMBL3939907 0.72 ALDH1A1 (0.57) TSHRADORA3POLBALDH1A1MAPT
SCHEMBL6691068 0.70 MAPT (0.61) TSHRHPGDMAPK1POLBALDH1A1
SCHEMBL16448979 0.70 TSHR (0.66) TSHRHPGDMAPK1ADORA3POLB
SCHEMBL11541403 0.69 NPC1 (0.65) TSHRPOLBALDH1A1MAPTGAA
SCHEMBL2775568 0.68 MAPT (0.74) TSHRHPGDMAPK1POLBALDH1A1
SCHEMBL4948655 0.68 HTT (0.58) TSHRMAPK1POLBALOX15ALDH1A1

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
EP-2289504-A2 SIRT1 modulators for manipulating cell/organism lifespan/stress response President and Fellows of Harvard College (US) 2011-03-02 EP disclosed