SCHEMBL4649077

SCHEMBL4649077

O=S(=O)(Nc1ccccc1)c1cccnc1N1NC=CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRM4 Q14833 1/20 0.38
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
CASP6 P55212 1/20 0.37
PTPN11 Q06124 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
PKM P14618 1/20 0.36
IL1RN P18510 1/20 0.36
KEAP1 Q14145 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
LIMK2 P53671 1/20 0.35

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
SCHEMBL2579130 0.73 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL9959446 0.70 ALDH1A1 (0.56) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL3670519 0.68 KDM4E (0.54) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL27973531 0.68 ACLY (0.55) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL7627388 0.66 KEAP1 (0.67) ALDH1A1MEN1KMT2ADUSP3PTPN5
SCHEMBL18862467 0.65 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL9954267 0.65 SLC22A12 (0.55) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL22804020 0.64 MET (0.65) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL29948327 0.64 MET (0.65) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL6431253 0.64 KEAP1 (0.57) KDM4EALDH1A1MEN1KMT2AGRM4

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
EP-1904490-A1 ETHANOLAMINE SALT OF N- (3-METHOXY-5-METHYLPYRAZIN-2YL) -2- (4- [1 , 3 , 4-0XADIAZ0LE-2-YL]PHENYL) PYRIDINE-3- SULPHONAMIDE AstraZeneca AB (SE) 2008-04-02 EP claimed
WO-2007010235-A1 ETHANOLAMINE SALT OF N- (3-METHOXY-5-METHYLPYRAZIN-2YL) -2- (4- [1 , 3 , 4-0XADIAZ0LE-2-YL] PHENYL) PYRIDINE-3- SULPHONAMIDE ASTRAZENECA AB (SE) 2007-01-25 WO claimed