SCHEMBL10389371

SCHEMBL10389371

Nc1cc(S(N)(=O)=O)ccc1S(=O)(=O)c1ccc2ccccc2c1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CA2 P00918 8/20 0.44
▸ CA1 P00915 6/20 0.42
▸ CA9 Q16790 6/20 0.42
▸ CA12 O43570 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ GLO1 Q04760 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL10389341 0.83 SLC40A1 (0.39) KDM4EGAAPKMALDH1A1HTR6
SCHEMBL10389367 0.83 HSP90AA1 (0.40) LMNAMEN1MAPTKMT2AGAA
SCHEMBL10390245 0.80 HTR6 (0.63) LMNAMEN1KMT2ACA2CA1
SCHEMBL10390195 0.79 HTR6 (0.57) MEN1MAPTKMT2AGAACA2
SCHEMBL10390196 0.77 HSP90AA1 (0.43) MEN1KMT2AGAARAB9ACYP2C9
SCHEMBL8835967 0.77 CYP2D6 (0.51) MAPTKMT2AGAACA2CA1
SCHEMBL4578484 0.77 CYP2D6 (0.51) MAPTKMT2AGAACA2CA1
SCHEMBL30867080 0.77 CYP2D6 (0.51) MAPTKMT2AGAACA2CA1
SCHEMBL4897459 0.77 CYP2D6 (0.51) MAPTKMT2AGAACA2CA1
SCHEMBL3233255 0.77 CYP2D6 (0.51) MAPTKMT2AGAACA2CA1

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
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