SCHEMBL10389258

SCHEMBL10389258

Nc1cc(S(=O)(=O)O)ccc1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ CASP6 P55212 1/20 0.54
▸ LMNA P02545 1/20 0.49
▸ SNCA P37840 1/20 0.48
▸ F2 P00734 2/20 0.45
▸ PRSS1 P07477 2/20 0.45
▸ PRSS2 P07478 2/20 0.45
▸ PRSS3 P35030 2/20 0.45
▸ C1S P09871 1/20 0.44
▸ NT5E P21589 1/20 0.44
▸ LOXL2 Q9Y4K0 4/20 0.44
▸ AKR1B1 P15121 1/20 0.43
▸ LOX P28300 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL10388956 0.87 PLAU (0.47) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL10389380 0.86 LMNA (0.69) ALDH1A1HSD17B10CYP2C9CYP2C19LMNA
SCHEMBL9818520 0.82 LMNA (0.50) LMNAF2PRSS1PRSS2PRSS3
SCHEMBL10388597 0.82 KDM4E (0.49) ALDH1A1LMNAC1SLOXL2LOX
SCHEMBL1556 0.82 SNCA (0.65) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL29357423 0.82 SNCA (0.65) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL29857297 0.82 SNCA (0.65) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL28275730 0.82 SNCA (0.65) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
Naphthalene SCHEMBL28216326 0.82 SNCA (0.65) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6
SCHEMBL304050 0.82 SNCA (0.65) ALDH1A1HSD17B10CYP2C9CYP2C19CASP6

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-4918183-A Monoazo dyes, process for their preparation, and the use thereof CIBA-GEIGY CORPORATION (US) 1990-04-17 — — US disclosed
Send feedback