SCHEMBL11041299

SCHEMBL11041299

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2CC(=O)O)n1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
MAPT P10636 3/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.51
CDK1 P06493 1/20 0.49
MMP2 P08253 3/20 0.46
MMP8 P22894 3/20 0.46
MMP12 P39900 3/20 0.46
MMP13 P45452 3/20 0.46
MMP14 P50281 3/20 0.46
MMP16 P51512 3/20 0.46
KMT2A Q03164 1/20 0.44
MMP9 P14780 2/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL11049312 0.94 SMN1; SMN2 (0.53) GAAMAPTTP53GLACDK1
SCHEMBL11042608 0.91 GAA (0.56) GAAMAPTTP53GLACDK1
SCHEMBL11122778 0.90 GAA (0.55) GAAMAPTTP53GLACDK1
SCHEMBL11124125 0.89 GAA (0.58) GAAMAPTTP53GLACDK1
SCHEMBL11042573 0.88 MAPT (0.49) GAAMAPTTP53MMP2MMP8
SCHEMBL11047175 0.88 GAA (0.57) GAAMAPTTP53GLACDK1
SCHEMBL10646472 0.88 GAA (0.57) GAAMAPTTP53GLACDK1
SCHEMBL11046520 0.87 GAA (0.52) GAAMAPTTP53GLACDK1
SCHEMBL10616134 0.87 GAA (0.67) GAAMAPTTP53GLACDK1
SCHEMBL11049002 0.87 GAA (0.56) GAAMAPTTP53GLACDK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044209-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-31 EP claimed
US-4348219-A PREEMERGENCE AND POSTEMERGENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-07 US claimed
EP-0044209-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-31 EP disclosed
US-4454335-A Substituted benzene sulfonyl isocyanates as intermediates to herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-12 US disclosed
US-4348219-A PREEMERGENCE AND POSTEMERGENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-07 US disclosed
US-4348219-A PREEMERGENCE AND POSTEMERGENCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-07 US disclosed
EP-0044209-A1 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-20 EP disclosed