SCHEMBL4949654

SCHEMBL4949654

O=S1(=O)OC(c2ccc(O)c(Br)c2)(c2ccc(O)c(Br)c2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
LMNA P02545 2/20 0.65
KMT2A Q03164 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
HIF1A Q16665 1/20 0.65
PTPN11 Q06124 2/20 0.57
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
CDK2 P24941 1/20 0.49
DHFR P00374 6/20 0.47
TYMS P04818 2/20 0.47
AKR1C1 Q04828 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 1/20 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
SCHEMBL29359581 1.00 MEN1 (0.65) MEN1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL29436705 0.87 MEN1 (0.70) MEN1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL152384 0.87 MEN1 (0.70) MEN1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL11545948 0.86 PTPN11 (0.56) MEN1LMNAKMT2ACYP1A2CYP2C9
Bromophenol Blue SCHEMBL19631 0.86 PTPN11 (0.67) MEN1LMNAKMT2ACYP1A2CYP2C9
Bromophenol Blue SCHEMBL29363309 0.86 PTPN11 (0.67) MEN1LMNAKMT2ACYP1A2CYP2C9
Bromophenol Blue SCHEMBL4579087 0.84 PTPN11 (0.66) MEN1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL16303141 0.83 MEN1 (0.65) MEN1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL63456 0.83 TDP1 (0.69) MEN1LMNAKMT2ACYP1A2CYP2C9
SCHEMBL29359713 0.83 MEN1 (0.65) MEN1LMNAKMT2ACYP1A2CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080223413-A1 Color changing soap MILLIKEN & COMPANY 2008-09-18 US disclosed
WO-2008112073-A2 COLOR CHANGING SOAP MILLIKEN & COMPANY (US) 2008-09-18 WO disclosed
EP-0013282-A1 Copolycarbonates of phenolphthalein polycarbonates and other polycarbonates and their preparation THE DOW CHEMICAL COMPANY (US) 1980-07-23 EP disclosed
US-4134936-A Copolycarbonates of phenolphthalein polycarbonates and other polycarbonates THE DOW CHEMICAL COMPANY (US) 1979-01-16 US disclosed