SCHEMBL4070253

SCHEMBL4070253

O=S(=O)(Nc1ncc2[nH]nnc2n1)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 6/20 0.44
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.43
NFKBIA P25963 1/20 0.43
RELA Q04206 1/20 0.43
GLO1 Q04760 1/20 0.43
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
CCR4 P51679 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MMP2 P08253 1/20 0.40

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
SCHEMBL8840340 0.71 KDM4E (0.69) ALDH1A1KDM4ETSHRGAANFKBIA
SCHEMBL28954437 0.68 KDM4E (0.49) ALDH1A1KDM4ETSHRGAAHPGD
SCHEMBL17202963 0.68 ADORA3 (0.40) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL8558706 0.67 ALDH1A1 (0.41) ALDH1A1KMT2A
SCHEMBL27260902 0.67 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRGAANFKBIA
SCHEMBL5242679 0.66 CDK2 (0.32)
SCHEMBL29031229 0.64 MEN1 (0.77) ALDH1A1KDM4ETSHRGAAHPGD
SCHEMBL2422507 0.64 KDM4E (0.70) ALDH1A1KDM4ETSHRGAANFKBIA
SCHEMBL7594332 0.62 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRGAANFKBIA
SCHEMBL6180596 0.62 CCR4 (0.71) ALDH1A1KDM4ETSHRGAANFKBIA

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-1330458-B1 N-( 1,2,4 TRIAZOLOAZINYL) THIOPHENESULFONAMIDE COMPOUNDS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-06-03 EP claimed