SCHEMBL8028707

SCHEMBL8028707

COc1ccc([S+](Cc2ccc(Br)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAOB P27338 2/20 0.42
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FPR2 P25090 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MAOA P21397 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
SCHEMBL2323096 0.86 KMT2A (0.51) KMT2AMEN1MAPTRAB9AL3MBTL1
SCHEMBL8028709 0.83 MEN1 (0.56) KMT2AMEN1MAPTRAB9AL3MBTL1
SCHEMBL2329263 0.81 LTA4H (0.57) L3MBTL1IDO1HTTTDP1AGXT
SCHEMBL1991025 0.77 MEN1 (0.61) KMT2AMEN1MAPTRAB9AL3MBTL1
SCHEMBL1774447 0.77 LTA4H (0.65) KMT2AMEN1MAPTRAB9AL3MBTL1
SCHEMBL2400845 0.77 RAB9A (0.53) KMT2AMEN1MAPTRAB9AL3MBTL1
SCHEMBL9003421 0.76 LTA4H (0.50) L3MBTL1NPC1IDO1HTTTDP1
SCHEMBL31229747 0.76 LTA4H (0.50) KMT2AMEN1RAB9AL3MBTL1IDO1
SCHEMBL9301 0.76
SCHEMBL2325029 0.75 ALDH1A1 (0.42) L3MBTL1MAPK1IDO1ALDH1A1HTT

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
US-6110987-A CURED PRODUCTS HAVING AN EXCELLENT APPEARANCE WITHOUT COLORING CAUSED BY POLYMERIZATION INITIATOR SHOWA DENKO K.K. (JP) 2000-08-29 US disclosed