SCHEMBL9750140

SCHEMBL9750140

O=S(=O)([O-])c1ccc[n+](F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
HTR6 P50406 1/20 0.32
APOBEC3G Q9HC16 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
PLA2G7 Q13093 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
TSHR P16473 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
SCHEMBL9750146 0.78 TSHR (0.50) TDP1LMNAHTR6APOBEC3GALDH1A1
SCHEMBL29889955 0.74 USP2 (0.47) TDP1LMNAAPOBEC3GALDH1A1TSHR
SCHEMBL2185887 0.74 USP2 (0.47) TDP1LMNAAPOBEC3GALDH1A1TSHR
SCHEMBL9131821 0.72 GAA (0.43) TDP1LMNAALDH1A1CA12CA1
Water SCHEMBL6448903 0.69 HTR6 (0.52) TDP1LMNAHTR6APOBEC3GALDH1A1
Water SCHEMBL2863467 0.69 HTR6 (0.52) TDP1LMNAHTR6APOBEC3GALDH1A1
Water SCHEMBL8617713 0.69 HTR6 (0.52) TDP1LMNAHTR6APOBEC3GALDH1A1
Water SCHEMBL28907959 0.69 HTR6 (0.52) TDP1LMNAHTR6APOBEC3GALDH1A1
Water SCHEMBL22581636 0.69 ALDH1A1 (0.55) TDP1LMNAHTR6APOBEC3GALDH1A1
Water SCHEMBL22581615 0.69 HTR6 (0.52) TDP1LMNAHTR6APOBEC3GALDH1A1

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-5081249-A From gaseous fluorine and solution of pyridinesulfonate SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-01-14 US disclosed