SCHEMBL8028709

SCHEMBL8028709

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.56
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
IDO1 P14902 3/20 0.47
MAOB P27338 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAOA P21397 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FPR2 P25090 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44

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
SCHEMBL8028707 0.83 KMT2A (0.51) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL2323096 0.83 KMT2A (0.51) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL12934387 0.82 LTA4H (0.67) RAB9AL3MBTL1NPC1IDO1ALDH1A1
SCHEMBL1991025 0.81 MEN1 (0.61) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL1774447 0.81 LTA4H (0.65) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL9301 0.80
Phosphine SCHEMBL9754815 0.78 CA1 (0.65) MEN1KMT2AMAPTRAB9AL3MBTL1
Magnesium SCHEMBL31191739 0.78 CA1 (0.65) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL10605468 0.78 CA1 (0.65) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL5466009 0.78 CA1 (0.65) MEN1KMT2AMAPTRAB9AL3MBTL1

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