SCHEMBL8477231

SCHEMBL8477231

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(Br)nc3ccccn23)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CDK1 P06493 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37

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
SCHEMBL8480505 0.89 GAA (0.53) GAAMAPTTP53GLACDK1
SCHEMBL8477647 0.88 GAA (0.57) GAAMAPTTP53GLACDK1
SCHEMBL55236 0.88 GAA (0.52) GAAMAPTTP53GLACDK1
SCHEMBL8535700 0.88 GAA (0.52) GAAMAPTTP53GLACDK1
SCHEMBL8480476 0.86 GAA (0.50) GAAMAPTTP53GLACDK1
SCHEMBL8478141 0.85 GAA (0.49) GAAMAPTTP53GLACDK1
SCHEMBL8479483 0.85 GAA (0.52) GAAMAPTTP53GLACDK1
Sulfosulfuron SCHEMBL66574 0.85 GAA (0.49) GAAMAPTTP53GLACDK1
SCHEMBL8478329 0.84 GAA (0.48) GAAMAPTTP53GLACDK1
SCHEMBL23930169 0.83 GAA (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238070-B1 Sulfonylurea compounds, their production and herbicidal use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-29 EP claimed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US claimed
EP-0238070-A2 Sulfonylurea compounds, their production and herbicidal use Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP claimed
US-5990048-A METRIBUZIN AND SULFOSULFURON (2-ETHYLSULFONYL-N-(((4,6-DIMETHOXY-PYRIMIDIN-2 -YL)AMINO)CARBONYL)IMIDAZO(1,2-A)PYRIDINE-3-SULFONAMIDE) ACT SYNERGISTICALLY AT SPECIFIC WEIGHT RATIOS BAYER AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed