SCHEMBL13008656

SCHEMBL13008656

SCc1ccc(-n2c(S)nc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
ESR2 Q92731 4/20 0.41
ESR1 P03372 3/20 0.41
TSHR P16473 3/20 0.39
RPS6KB1 P23443 3/20 0.38
GSK3B P49841 2/20 0.38
ROCK1 Q13464 2/20 0.38
PRKACA P17612 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
CACNG2 Q9Y698 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
IDO1 P14902 1/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL14557061 0.88 MAPK1 (0.53) MAPK1HTTESR2ESR1TSHR
SCHEMBL14557071 0.83 ESR2 (0.49) MAPK1HTTESR2ESR1TSHR
SCHEMBL889831 0.83 MAPK1 (0.61) MAPK1HTTESR2ESR1TSHR
SCHEMBL1104367 0.81 CYP2C9 (0.41) MAPK1HTTESR2ESR1TSHR
SCHEMBL14431999 0.81 MEN1 (0.48) MAPK1HTTESR2ESR1TSHR
SCHEMBL1104437 0.80 L3MBTL1 (0.56) MAPK1HTTESR2ESR1TSHR
SCHEMBL14112997 0.80 PTGS2 (0.50) MAPK1HTTESR2ESR1MEN1
SCHEMBL10353247 0.76 RPS6KB1 (0.54) MAPK1HTTTSHRRPS6KB1ROCK1
SCHEMBL14112995 0.76 NPSR1 (0.49) MAPK1HTTESR2ESR1TSHR
SCHEMBL14557250 0.73 HTT (0.40) MAPK1HTTESR2ESR1TSHR

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-2259140-A1 IMMERSION AUTOMATIC DEVELOPMENT APPARATUS AND AUTOMATIC DEVELOPMENT METHOD FOR MANUFACTURING PLANOGRAPHIC PRINTING PLATE FUJIFILM Corporation (JP) 2010-12-08 EP disclosed