SCHEMBL6832200

SCHEMBL6832200

Cc1ccccc1S(=O)(=O)c1cc(C#N)c(C#N)cc1N

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.65
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.61
POLB P06746 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
SLC22A12 Q96S37 2/20 0.45
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 3/20 0.41
NPY1R P25929 1/20 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
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6402924 0.82 KDM4E (0.58) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL6401042 0.80 ALDH1A1 (0.62) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL6916212 0.75 GAA (0.75) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL10572955 0.74 GAA (0.52) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL29468592 0.74 ALDH1A1 (0.55) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL475089 0.74 ALDH1A1 (0.55) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL6400982 0.73 KDM4E (0.38) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL7613480 0.72 KDM4E (0.49) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL28507458 0.71 GAA (0.47) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL22292321 0.70 GAA (0.55) KDM4EALDH1A1HPGDPOLBMEN1

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
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed