SCHEMBL6401042

SCHEMBL6401042

N#Cc1cc(N)c(S(=O)(=O)c2ccccc2)cc1C#N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HPGD P15428 4/20 0.62
LMNA P02545 2/20 0.62
KDM4E B2RXH2 8/20 0.57
HTR6 P50406 4/20 0.53
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 3/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 1/20 0.44
POLB P06746 3/20 0.43
ABCC9 O60706 2/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41

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
SCHEMBL17774701 0.82 HTR6 (0.69) ALDH1A1HPGDLMNAKDM4EHTR6
SCHEMBL6401035 0.80 ALDH1A1 (0.55) ALDH1A1HPGDLMNAKDM4EHTR6
SCHEMBL6832200 0.80 KDM4E (0.65) ALDH1A1HPGDLMNAKDM4EMEN1
SCHEMBL10692275 0.79 ALDH1A1 (0.57) ALDH1A1HPGDLMNAKDM4EHTR6
SCHEMBL1146161 0.77 HSD11B1 (0.59) ALDH1A1HPGDLMNAKDM4EHTR6
SCHEMBL591138 0.77 ALDH1A1 (0.55) ALDH1A1HPGDLMNAKDM4EHTR6
SCHEMBL591137 0.77 ALDH1A1 (0.51) ALDH1A1HPGDLMNAKDM4EHTR6
SCHEMBL11120054 0.77 ALDH1A1 (0.55) ALDH1A1HPGDLMNAKDM4EHTR6
SCHEMBL11121243 0.74 HTR6 (0.52) ALDH1A1HPGDLMNAKDM4EHTR6
SCHEMBL6400982 0.73 KDM4E (0.38) ALDH1A1HPGDLMNAKDM4EMEN1

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