SCHEMBL27894191

SCHEMBL27894191

C=Cc1ccc(S(=O)(=O)O)cc1C=C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 5/20 0.42
CASP6 P55212 3/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 4/20 0.40
NT5E P21589 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NSD2 O96028 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL11964335 0.84 TDP1 (0.52) TDP1ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL3719523 0.84 TDP1 (0.52) TDP1ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL1502935 0.84 TDP1 (0.52) TDP1ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL11865868 0.82 TDP1 (0.50) TDP1ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL11576033 0.82 TDP1 (0.50) TDP1ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL25394647 0.82 TDP1 (0.50) TDP1ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL13537205 0.82 ALDH1A1 (0.52) TDP1ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL167675 0.82 TDP1 (0.50) TDP1ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL11825491 0.82 TDP1 (0.50) TDP1ALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL2871378 0.82 TDP1 (0.50) TDP1ALDH1A1HSD17B10CASP6CYP2C9

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
CN-102753253-A ion exchange membrane SIEMENS PTE LTD 2012-10-24 CN disclosed