SCHEMBL14645367

SCHEMBL14645367

Nc1cccc2cc(S(=O)(=O)O)c(O)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.61
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
ALDH1A1 P00352 4/20 0.44
CASP6 P55212 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TDP2 O95551 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NT5E P21589 1/20 0.41
PLAU P00749 2/20 0.41

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
SCHEMBL28065855 0.87 TTR (0.61) TTRAURKAAURKBALDH1A1CASP6
SCHEMBL5442629 0.85 TTR (0.48) TTRAURKAAURKBALDH1A1HSD17B10
SCHEMBL6051270 0.82 TTR (0.59) TTRAURKAAURKBALDH1A1CASP6
SCHEMBL9331048 0.79 AURKA (0.53) TTRAURKAAURKBALDH1A1CASP6
SCHEMBL10712705 0.79 ALDH1A1 (0.50) TTRALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL600908 0.79 TTR (0.59) TTRAURKAAURKBALDH1A1CASP6
SCHEMBL7890129 0.78 TTR (0.48) TTRAURKAAURKBHSD17B10KDM4E
SCHEMBL2904202 0.78 TTR (0.48) TTRAURKAAURKBALDH1A1HSD17B10
SCHEMBL31255668 0.78 TTR (0.48) TTRAURKAAURKBHSD17B10KDM4E
SCHEMBL14645562 0.78 CASP6 (0.63) TTRAURKAAURKBALDH1A1CASP6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013008201-A2 NOVEL REACTIVE DYES, THERE MIXTURES AND PROCESSES THEREOF COLOURTEX INDUSTRIES LIMITED (IN) 2013-01-17 WO claimed
WO-2013008201-A2 NOVEL REACTIVE DYES, THERE MIXTURES AND PROCESSES THEREOF COLOURTEX INDUSTRIES LIMITED (IN) 2013-01-17 WO disclosed