SCHEMBL28114987

SCHEMBL28114987

O=S(=O)(Nc1ccccc1)c1ccc(NC(Nc2ccccc2)S(=O)(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MEN1 O00255 5/20 0.66
PKM P14618 3/20 0.66
ALDH1A1 P00352 2/20 0.66
KEAP1 Q14145 2/20 0.59
IL1RN P18510 1/20 0.59
ERAP1 Q9NZ08 1/20 0.59
CA12 O43570 4/20 0.56
CA9 Q16790 4/20 0.56
CA2 P00918 3/20 0.56
CA1 P00915 2/20 0.56
GAA P10253 2/20 0.54
UQCRB P14927 1/20 0.54
TMPRSS6 Q8IU80 2/20 0.53
GFER P55789 1/20 0.52
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL9001182 0.80 KMT2A (1.00) KMT2AMEN1PKMALDH1A1KEAP1
SCHEMBL20812928 0.80 KMT2A (0.70) KMT2AMEN1PKMALDH1A1KEAP1
SCHEMBL11702649 0.78 KMT2A (0.78) KMT2AMEN1PKMALDH1A1KEAP1
SCHEMBL25031372 0.76 KEAP1 (1.00) KMT2AMEN1PKMALDH1A1KEAP1
Phenyl(Phenylsulfonyl)Amine SCHEMBL114765 0.76 KEAP1 (1.00) KMT2AMEN1PKMALDH1A1KEAP1
SCHEMBL810795 0.76 KMT2A (0.91) KMT2AMEN1PKMALDH1A1KEAP1
SCHEMBL930801 0.75 UQCRB (0.80) KMT2AMEN1PKMALDH1A1KEAP1
SCHEMBL12010876 0.75 MEN1 (0.72) KMT2AMEN1PKMALDH1A1KEAP1
Phenyl(Phenylsulfonyl)Amine SCHEMBL11513007 0.74 KEAP1 (0.95) KMT2AMEN1PKMALDH1A1KEAP1
Phenyl(Phenylsulfonyl)Amine SCHEMBL6399560 0.74 KEAP1 (0.95) KMT2AMEN1PKMALDH1A1KEAP1

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
CN-101977597-B Methods of inhibiting bacterial virulence and compounds related thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-12-14 CN disclosed
CN-104887688-A Application of amide compound to reduction of toxicity of aeromonas hydrophila FEED RES INST CAAS 2015-09-09 CN disclosed