SCHEMBL4348783

SCHEMBL4348783

CC(C)(C)c1cc(S)ccc1OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SLC6A3 Q01959 1/20 0.44
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
MEN1 O00255 4/20 0.42
CYP3A4 P08684 1/20 0.42
APEX1 P27695 1/20 0.42
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
JAK2 O60674 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL6674203 0.84 ESR1 (0.57) TDP1ATMMAPTL3MBTL1KMT2A
SCHEMBL11392449 0.84 MAPT (0.49) TDP1ATMMAPTL3MBTL1KMT2A
SCHEMBL8844966 0.84 TDP1 (0.60) TDP1ATMMAPTL3MBTL1KMT2A
SCHEMBL4335496 0.82 NR1H4 (0.50) TDP1ATMMAPTL3MBTL1KMT2A
SCHEMBL20548503 0.81 MAPT (0.54) TDP1ATMMAPTL3MBTL1KMT2A
SCHEMBL18567268 0.81 TDP1 (0.69) TDP1ATMMAPTL3MBTL1KMT2A
SCHEMBL14580105 0.80 RARA (0.60) TDP1ATMMAPTL3MBTL1KMT2A
SCHEMBL20008627 0.79 PRSS1 (0.47) TDP1ATMMAPTL3MBTL1KMT2A
SCHEMBL4332746 0.78 KMT2A (0.50) TDP1MAPTL3MBTL1KMT2ASMN1; SMN2
Benzamide SCHEMBL21771961 0.78 PARP10 (0.49) TDP1ATMMAPTL3MBTL1KMT2A

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-2092040-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMIESCENT DEVICE USING THE SAME Gracel Display Inc. (KR) 2009-08-26 EP disclosed
WO-2008082249-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMIESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2008-07-10 WO disclosed