SCHEMBL4337628

SCHEMBL4337628

O=S(=O)(O)c1cc(Br)cc(S(=O)(=O)O)c1Br

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.35
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
HPGDS O60760 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
TTR P02766 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL31357033 0.88 CYP3A4 (0.39) ACP1TDP1CYP3A4TSHRCA12
SCHEMBL3746232 0.82 LCK (0.43) TDP1TSHRALDH1A1HSD17B10LCK
SCHEMBL9950710 0.82 ACP1 (0.34) ACP1TDP1CYP3A4TSHRALDH1A1
SCHEMBL31456346 0.82 ACP1 (0.34) ACP1TDP1CYP3A4TSHRALDH1A1
SCHEMBL10133590 0.80 CA1 (0.41) ACP1TSHRMEN1HPGDSMAPT
SCHEMBL9950644 0.78 CA1 (0.39) ACP1TSHRMEN1HPGDSMAPT
SCHEMBL19549129 0.78 ERN1 (0.39) ACP1ALDH1A1HSD17B10CA12CA9
SCHEMBL11806410 0.75 TDP1 (0.36) TDP1MEN1HPGDSMAPTKMT2A
SCHEMBL6936181 0.75 CA1 (0.43) TDP1CYP3A4TSHRALDH1A1CASP1
SCHEMBL9335134 0.75 ALDH1A1 (0.46) TDP1CYP3A4TSHRALDH1A1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110151355-A1 POLYMER, POLYMER ELECTROLYTE AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 US disclosed
US-20090259013-A1 LIQUID CRYSTAL POLY(PHENYLENE DISULFONIC ACIDS) CASE WESTERN RESERVE UNIVERSITY 2009-10-15 US disclosed