SCHEMBL9314959

SCHEMBL9314959

Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12.Nc1ccc(S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.54
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 4/20 0.54
CASP6 P55212 3/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
SENP2 Q9HC62 5/20 0.51
SENP3 Q9H4L4 4/20 0.51
SENP1 Q9P0U3 4/20 0.51
SUMO2 P61956 3/20 0.51
SUMO1 P63165 3/20 0.51
SENP7 Q9BQF6 3/20 0.51
PHLPP2 Q6ZVD8 1/20 0.47
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
NT5E P21589 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
NSD2 O96028 2/20 0.41
DUSP3 P51452 1/20 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
SCHEMBL31621937 0.97 ALDH1A1 (0.57) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL1809362 0.97 ALDH1A1 (0.57) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL1807549 0.97 ALDH1A1 (0.57) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL30460486 0.97 ALDH1A1 (0.57) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL20497215 0.95 ALDH1A1 (0.56) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL6051371 0.89 ALDH1A1 (0.59) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL3296584 0.88 ALDH1A1 (0.52) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL30939652 0.88 ALDH1A1 (0.52) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL9717734 0.86 TTR (0.59) TTRALDH1A1HSD17B10CASP6CYP2C9
SCHEMBL3826526 0.86 ALDH1A1 (0.50) TTRALDH1A1HSD17B10CASP6CYP2C9

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-5292871-A Water-soluble compounds having a fiber-reactive group of the vinyl sulfone monoazo series bonded to an alkanoylamino of benzoylamino grouping, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed