SCHEMBL6401035

SCHEMBL6401035

N#Cc1cc([NH])c(S(=O)(=O)c2ccccc2)cc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
KDM4E B2RXH2 3/20 0.50
HSD11B1 P28845 1/20 0.43
HTR6 P50406 6/20 0.42
ABCC9 O60706 2/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
KCNJ8 Q15842 2/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
USP8 P40818 1/20 0.39

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
SCHEMBL6401042 0.80 ALDH1A1 (0.62) ALDH1A1LMNAHPGDKDM4EHSD11B1
SCHEMBL6402924 0.80 KDM4E (0.58) ALDH1A1LMNAHPGDKDM4EHSD11B1
SCHEMBL1146161 0.77 HSD11B1 (0.59) ALDH1A1LMNAHPGDKDM4EHSD11B1
SCHEMBL11120054 0.77 ALDH1A1 (0.55) ALDH1A1LMNAHPGDKDM4EHSD11B1
SCHEMBL11121243 0.74 HTR6 (0.52) ALDH1A1LMNAHPGDKDM4EHTR6
SCHEMBL6400979 0.73 ALDH1A1 (0.34) ALDH1A1KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL10692275 0.72 ALDH1A1 (0.57) ALDH1A1LMNAHPGDKDM4EHSD11B1
SCHEMBL6963366 0.70 ALDH1A1 (0.48) ALDH1A1LMNAHPGDKDM4EHSD11B1
SCHEMBL591138 0.70 ALDH1A1 (0.55) ALDH1A1LMNAHPGDKDM4EHSD11B1
SCHEMBL1466744 0.70 ALDH1A1 (0.48) ALDH1A1LMNAHPGDKDM4EHSD11B1

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
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed