SCHEMBL8555738

SCHEMBL8555738

COCCn1nc(C)c(C#N)c1NC(=O)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
NTRK1 P04629 1/20 0.42
NR3C1 P04150 1/20 0.42
MAPT P10636 3/20 0.41
P2RY12 Q9H244 2/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL8554531 0.89 MAPT (0.43) TDP1MAPTP2RY12ALDH1A1SMN1; SMN2
SCHEMBL8553758 0.87 ALDH1A1 (0.46) TDP1MAPTP2RY12ALDH1A1SMN1; SMN2
SCHEMBL8551950 0.87 STS (0.39) TDP1MAPTP2RY12ALDH1A1SMN1; SMN2
SCHEMBL8552593 0.87 MAPT (0.41) TDP1NR3C1MAPTP2RY12ALDH1A1
SCHEMBL8553085 0.79 ALDH1A1 (0.43) MAPTP2RY12ALDH1A1SMN1; SMN2LMNA
SCHEMBL1984012 0.78 NTRK1 (0.48) NTRK1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL8553207 0.77 P2RY12 (0.42) NR3C1MAPTP2RY12ALDH1A1SMN1; SMN2
SCHEMBL8554113 0.75 FPR1 (0.47) NR3C1MAPTP2RY12ALDH1A1SMN1; SMN2
SCHEMBL8554369 0.70 GAA (0.46) NTRK1NR3C1MAPTALDH1A1SMN1; SMN2
SCHEMBL8550650 0.69 FPR1 (0.53) NTRK1ALDH1A1KMT2ALMNAGAA

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