SCHEMBL19982688

SCHEMBL19982688

Nc1ccc(NNc2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.49
ALDH1A1 P00352 5/20 0.46
NT5E P21589 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 3/20 0.43
CASP6 P55212 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SUMO2 P61956 1/20 0.41
SUMO1 P63165 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP2 Q9HC62 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL9160632 0.87 CTDSP1 (0.63) CTDSP1ALDH1A1NT5ETSHRHSD17B10
SCHEMBL9156052 0.80 CTDSP1 (0.68) CTDSP1ALDH1A1NT5ECASP6RAPGEF4
SCHEMBL153646 0.80 ALDH1A1 (0.59) CTDSP1ALDH1A1NT5ETSHRHSD17B10
SCHEMBL142003 0.80 ALDH1A1 (0.59) CTDSP1ALDH1A1NT5ETSHRHSD17B10
SCHEMBL8848749 0.80 LMNA (0.56) ALDH1A1NT5ETSHRHSD17B10CYP2C9
SCHEMBL13214338 0.79 CTDSP1 (0.54) CTDSP1ALDH1A1NT5ETSHRHSD17B10
SCHEMBL16454189 0.79 ENPP2 (0.55) ALDH1A1NT5ETSHRSUMO2SUMO1
SCHEMBL17715464 0.78 TSHR (0.75) ALDH1A1NT5ETSHRCYP2C9CYP2C19
SCHEMBL142001 0.78 ALDH1A1 (0.57) CTDSP1ALDH1A1NT5ETSHRHSD17B10
SCHEMBL7064778 0.78 ALDH1A1 (0.57) CTDSP1ALDH1A1NT5ETSHRHSD17B10

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-3296362-A1 AZO DYES Kemira Oyj (FI) 2018-03-21 EP disclosed
EP-3296363-A1 AZO DYES Kemira Oyj (FI) 2018-03-21 EP disclosed