SCHEMBL9809387

SCHEMBL9809387

Nc1ccc(S(=O)(=O)O)c(S(=O)(=O)CCOS(=O)(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.42
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 4/20 0.40
RECQL P46063 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CASP6 P55212 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
NSD2 O96028 2/20 0.40
APEX1 P27695 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ELAVL1 Q15717 1/20 0.38
NT5E P21589 3/20 0.36
TSHR P16473 3/20 0.35

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
SCHEMBL9682315 0.94 RAPGEF4 (0.42) RAPGEF4HSD17B10ALDH1A1TDP1RECQL
SCHEMBL8951824 0.94 HSD17B10 (0.37) RAPGEF4HSD17B10ALDH1A1TDP1RECQL
SCHEMBL8745461 0.86 ALDH1A1 (0.42) RAPGEF4HSD17B10ALDH1A1TDP1RECQL
SCHEMBL9811303 0.86 CA2 (0.45) RAPGEF4HSD17B10ALDH1A1TDP1RECQL
SCHEMBL10390913 0.85 NT5E (0.38) RAPGEF4HSD17B10ALDH1A1TDP1RECQL
SCHEMBL8008676 0.83 ALDH1A1 (0.44) RAPGEF4HSD17B10ALDH1A1TDP1RECQL
SCHEMBL3718767 0.83 CA2 (0.46) RAPGEF4HSD17B10ALDH1A1TDP1RECQL
SCHEMBL6937844 0.83 L3MBTL1 (0.40) RAPGEF4HSD17B10ALDH1A1TDP1RECQL
SCHEMBL10948058 0.83 HSD17B10 (0.38) RAPGEF4HSD17B10ALDH1A1TDP1RECQL
SCHEMBL6938609 0.81 HSD17B10 (0.39) HSD17B10ALDH1A1KDM4EGAAMAPT

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