SCHEMBL4332746

SCHEMBL4332746

O=C(Oc1ccc(S)cc1F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
SLC6A3 Q01959 1/20 0.45
SERPINE1 P05121 1/20 0.45
MEN1 O00255 4/20 0.44
JAK2 O60674 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC2A1 P11166 1/20 0.43
SLC2A4 P14672 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL10181125 0.85 KMT2A (0.56) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL4343990 0.82 KMT2A (0.49) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL10180737 0.81 KMT2A (0.55) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL1323923 0.80 KMT2A (0.63) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL13657590 0.78 MGLL (0.54) KMT2AMAPTSLC6A3MEN1TDP1
SCHEMBL29228749 0.78 CYP11B1 (0.54) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL4348783 0.78 TDP1 (0.48) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL10179781 0.77 KMT2A (0.55) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL17951281 0.76 L3MBTL1 (0.52) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL10180097 0.76 KMT2A (0.53) KMT2AMAPTSMN1; SMN2ESR1ESR2

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