SCHEMBL11530274

SCHEMBL11530274

Nc1ccc(-n2[nH]c(CS(=O)(=O)O)cc2=O)c(S(=O)(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CASP6 P55212 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NSD2 O96028 2/20 0.35
APEX1 P27695 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
NT5E P21589 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ELAVL1 Q15717 1/20 0.33

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
SCHEMBL11530500 0.83 MYC (0.41) ALDH1A1TDP1HSD17B10TSHRKDM4E
SCHEMBL7840819 0.80 MAPT (0.44) RAPGEF4ALDH1A1TDP1HSD17B10CASP6
SCHEMBL11530445 0.80 TSHR (0.41) ALDH1A1TDP1HSD17B10TSHRKDM4E
SCHEMBL7830050 0.78 ALKBH5 (0.45) RAPGEF4ALDH1A1TDP1HSD17B10CASP6
SCHEMBL11569662 0.77 TSHR (0.36) ALDH1A1TDP1HSD17B10TSHRKDM4E
SCHEMBL10703638 0.75 ALDH1A1 (0.36) RAPGEF4ALDH1A1TDP1HSD17B10CASP6
SCHEMBL11140976 0.75 KDM4E (0.42) RAPGEF4ALDH1A1TDP1HSD17B10CASP6
SCHEMBL9397382 0.74 ALDH1A1 (0.57) ALDH1A1TDP1HSD17B10CASP6KDM4E
SCHEMBL11528391 0.73 ALDH1A1 (0.37) ALDH1A1TDP1HSD17B10TSHRCASP6
SCHEMBL11531529 0.72 KDM4E (0.41) ALDH1A1TDP1HSD17B10TSHRKDM4E

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-4141890-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed