SCHEMBL9713282

SCHEMBL9713282

Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(C=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
HSD17B10 Q99714 5/20 0.45
ALDH1A1 P00352 5/20 0.45
CASP6 P55212 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TIMP3 P35625 4/20 0.40
SENP2 Q9HC62 5/20 0.39
SENP3 Q9H4L4 4/20 0.39
SENP1 Q9P0U3 4/20 0.39
SUMO2 P61956 4/20 0.39
SUMO1 P63165 4/20 0.39
SENP7 Q9BQF6 4/20 0.39
TTR P02766 1/20 0.38
NSD2 O96028 3/20 0.38
GAA P10253 1/20 0.38
PLCG1 P19174 1/20 0.38
DNMT1 P26358 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL30901433 0.83 AURKA (0.53) AURKAAURKBHSD17B10ALDH1A1CASP6
SCHEMBL229199 0.83 AURKA (0.53) AURKAAURKBHSD17B10ALDH1A1CASP6
SCHEMBL26983155 0.81 AURKA (0.51) AURKAAURKBHSD17B10ALDH1A1CASP6
SCHEMBL8379561 0.81 AURKA (0.51) AURKAAURKBHSD17B10ALDH1A1CASP6
SCHEMBL10539390 0.80 AURKA (0.62) AURKAAURKBHSD17B10ALDH1A1CASP6
SCHEMBL156092 0.80 AURKA (0.62) AURKAAURKBHSD17B10ALDH1A1CASP6
SCHEMBL29706553 0.80 AURKA (0.62) AURKAAURKBHSD17B10ALDH1A1CASP6
SCHEMBL445795 0.79 AURKA (0.60) AURKAAURKBHSD17B10ALDH1A1CASP6
SCHEMBL10539372 0.79 AURKA (0.60) AURKAAURKBHSD17B10ALDH1A1CASP6
SCHEMBL11568447 0.78 ALDH1A1 (0.57) AURKAAURKBHSD17B10ALDH1A1CASP6

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
EP-0305021-B1 REACTIVE MONOAZO DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1992-01-29 EP disclosed
EP-0177445-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1986-04-09 EP disclosed