SCHEMBL9809463

SCHEMBL9809463

Nc1ccccc1S(=O)(=O)CCOP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 2/20 0.44
GAA P10253 1/20 0.43
CA2 P00918 5/20 0.42
CA9 Q16790 4/20 0.42
CA1 P00915 3/20 0.42
CA12 O43570 2/20 0.42
CA4 P22748 2/20 0.42
CYP2C9 P11712 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
HTR6 P50406 1/20 0.39
FDPS P14324 1/20 0.34
TTR P02766 1/20 0.33
PIN1 Q13526 1/20 0.33
APEX1 P27695 1/20 0.32

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
SCHEMBL9809403 0.80 CA2 (0.40) CA2CYP2C9
SCHEMBL1170678 0.79 KYNU (0.47) KYNUGAACA2CA9CA1
SCHEMBL9341654 0.79 KYNU (0.47) KYNUGAACA2CA9CA1
SCHEMBL9809401 0.79 CA2 (0.49) GAACA2CYP2C9
SCHEMBL7622316 0.76 CTDSP1 (0.37) GAACA2CYP2C9
SCHEMBL11692932 0.76 CTDSP1 (0.40) CA2CA9CA1HTR6APEX1
SCHEMBL6936905 0.75 CA2 (0.51) KYNUGAACA2CA9CA1
SCHEMBL8845270 0.75 KYNU (0.44) KYNUGAACA2CA9CA1
SCHEMBL10391842 0.75 CA2 (0.33) CA2
SCHEMBL635315 0.74 CA2 (0.57) KYNUGAACA2CA9CA1

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-5015731-A For fibers such as wool and cellulose HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed