SCHEMBL8554113

SCHEMBL8554113

Cc1nn(C2CCOCC2)c(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 7/20 0.47
P2RY12 Q9H244 2/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
NR3C1 P04150 1/20 0.37
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR2A P28223 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL8553207 0.89 P2RY12 (0.42) FPR1P2RY12ALDH1A1SMN1; SMN2CA12
SCHEMBL8553758 0.79 ALDH1A1 (0.46) FPR1P2RY12ALDH1A1SMN1; SMN2CA12
SCHEMBL8553085 0.78 ALDH1A1 (0.43) P2RY12ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL1984012 0.77 NTRK1 (0.48) FPR1ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL8554531 0.77 MAPT (0.43) P2RY12ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL8555738 0.75 TDP1 (0.44) P2RY12ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL8552593 0.75 MAPT (0.41) P2RY12ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL8551950 0.70 STS (0.39) P2RY12ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL8556246 0.69 KCNJ6 (0.55) KCNJ6KCNJ5KCNJ3
SCHEMBL8550650 0.69 FPR1 (0.53) FPR1ALDH1A1LMNAKDM4E

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

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