SCHEMBL314367

SCHEMBL314367

O=S(=O)(O)c1ccc(CCBr)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
CYP1A2 P05177 3/20 0.41
CTRB1 P17538 1/20 0.40
SLC2A1 P11166 1/20 0.38
COMT P21964 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
LDHA P00338 1/20 0.37
MPL P40238 4/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SUMO2 P61956 2/20 0.34
SUMO1 P63165 2/20 0.34
SENP7 Q9BQF6 2/20 0.34

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
SCHEMBL2662859 0.86 TTR (0.46) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL314045 0.83 LDHA (0.33) SLC2A1LDHAALDH1A1HSD17B10TDP1
SCHEMBL14399777 0.83 TTR (0.43) TTRCYP1A2CTRB1SLC2A1COMT
SCHEMBL28419110 0.82 TTR (0.48) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL7791002 0.80 TTR (0.47) TTRCYP1A2CTRB1SLC2A1COMT
SCHEMBL29409575 0.79 TTR (0.61) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL703189 0.79 TTR (0.61) TTRCYP1A2CTRB1COMTAURKA
SCHEMBL11316365 0.79 CNR2 (0.42) TTRCYP1A2CTRB1SLC2A1MPL
SCHEMBL7020849 0.79 TTR (0.46) TTRCYP1A2CTRB1SLC2A1COMT
SCHEMBL17212138 0.79 TTR (0.46) TTRCYP1A2CTRB1COMTAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093342-B2 Polymer, charge control agent, and toner for developing electrostatic latent images CANON KABUSHIKI KAISHA (JP) 2012-01-10 US disclosed
US-20100291482-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2010-11-18 US disclosed
US-20070117945-A1 NOVEL POLYMER, CHARGE CONTROL AGENT, AND TONER FOR DEVELOPING ELECTROSTATIC LATENT IMAGES CANON KABUSHIKI KAISHA (JP) 2007-05-24 US disclosed