SCHEMBL4448498

SCHEMBL4448498

O=S(=O)(O)c1cc(S(=O)(=O)c2ccc(Br)c(S(=O)(=O)O)c2)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 4/20 0.35
CA2 P00918 3/20 0.35
TSHR P16473 2/20 0.35
NT5E P21589 1/20 0.35
CA1 P00915 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
POLB P06746 2/20 0.35
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
HTR6 P50406 2/20 0.35
PKM P14618 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
SCHEMBL2466680 0.93 CA2 (0.44) GAAMAPTLMNAALDH1A1CA2
SCHEMBL5116311 0.89 ALDH1A1 (0.44) LMNAALDH1A1CA2TSHRNT5E
SCHEMBL23566459 0.79 CA2 (0.45) LMNAALDH1A1CA2TSHRNT5E
SCHEMBL198694 0.78 ALDH1A1 (0.44) LMNAALDH1A1CA2CA1CA4
SCHEMBL31357032 0.78 ALDH1A1 (0.44) LMNAALDH1A1CA2CA1CA4
SCHEMBL1325572 0.78 PTPN1 (0.41) MAPTLMNAALDH1A1CA2TSHR
SCHEMBL6914453 0.77 ALDH1A1 (0.43) LMNAALDH1A1CA2CA1CA4
Ammonia Solution, Strong SCHEMBL4866863 0.77 PTPN1 (0.40) MAPTLMNAALDH1A1CA2TSHR
SCHEMBL6914547 0.77 ALDH1A1 (0.43) LMNAALDH1A1CA2CA1CA4
SCHEMBL10424527 0.77 LMNA (0.49) GAALMNAALDH1A1CA2CA1

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-20090269645-A1 POLYMER, POLYMER ELECTROLYTE AND FUEL CELL USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-29 US disclosed