SCHEMBL4584263

SCHEMBL4584263

COCCNc1c(S(C)(=O)=O)ccc(C(=O)c2c(C)nn(C)c2O)c1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.34
ALDH1A1 P00352 1/20 0.32
HTR1A P08908 2/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
THRB P10828 1/20 0.31
SYK P43405 3/20 0.30
KDM4E B2RXH2 1/20 0.30
CCR4 P51679 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10035244 0.94 HTR1A (0.33) NR3C1ALDH1A1HTR1AADRA1DADRA1A
SCHEMBL10035238 0.90
SCHEMBL10035234 0.89 ABCB1 (0.36)
SCHEMBL14570900 0.89 SYK (0.34) NR3C1SYK
SCHEMBL1965136 0.89 FPR1 (0.33) ALDH1A1KDM4E
SCHEMBL5549072 0.87 NR3C1 (0.32) NR3C1ALDH1A1
SCHEMBL1965015 0.87 SYK (0.32) SYK
SCHEMBL14124742 0.87 ABCB1 (0.33) ALDH1A1HTR1AADRA1DADRA1AADRA1B
SCHEMBL10035246 0.85 NR3C1 (0.36) NR3C1ALDH1A1HTR1AADRA1DADRA1A
SCHEMBL4583463 0.84 ABCB1 (0.37) NR3C1ALDH1A1KDM4E

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-1980555-A1 4-(3-aminobenzoyl)-1.3-dimethyl pyrazoles and their application as herbicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-15 EP disclosed