SCHEMBL8552593

SCHEMBL8552593

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 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
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
P2RY12 Q9H244 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
EGFR P00533 2/20 0.38

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) MAPTALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL8553758 0.87 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL8555738 0.87 TDP1 (0.44) MAPTALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL8551950 0.82 STS (0.39) MAPTALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL8553085 0.79 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL1984012 0.78 NTRK1 (0.48) MAPTALDH1A1SMN1; SMN2LMNACA12
SCHEMBL8553207 0.77 P2RY12 (0.42) MAPTALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL8553246 0.76 NTRK1 (0.39) MAPTALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL8554113 0.75 FPR1 (0.47) MAPTALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL8552075 0.70 FPR1 (0.41) MAPTALDH1A1SMN1; SMN2TSHRNPSR1

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