SCHEMBL8551950

SCHEMBL8551950

Cc1nn(CCOC(=O)OC(C)(C)C)c(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.39
P2RY12 Q9H244 3/20 0.39
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GPR119 Q8TDV5 3/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR2A P28223 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL8555738 0.87 TDP1 (0.44) P2RY12MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL8554531 0.84 MAPT (0.43) P2RY12MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL8553758 0.82 ALDH1A1 (0.46) P2RY12MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL8552593 0.82 MAPT (0.41) P2RY12MAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL8553085 0.74 ALDH1A1 (0.43) P2RY12MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1984012 0.73 NTRK1 (0.48) MAPTALDH1A1SMN1; SMN2LMNACA12
SCHEMBL8553207 0.72 P2RY12 (0.42) STSP2RY12MAPTALDH1A1SMN1; SMN2
SCHEMBL8553077 0.71 TSHR (0.42) MAPTTDP1ALDH1A1LMNATSHR
SCHEMBL8554113 0.70 FPR1 (0.47) P2RY12MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL8557168 0.67 GAA (0.44) STSP2RY12ALDH1A1SMN1; SMN2GPR119

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-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed