SCHEMBL8554531

SCHEMBL8554531

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 3/20 0.40
P2RY12 Q9H244 2/20 0.40
ERBB2 P04626 2/20 0.40

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
SCHEMBL8553758 0.90 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL8555738 0.89 TDP1 (0.44) MAPTALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL8552593 0.89 MAPT (0.41) MAPTALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL8551950 0.84 STS (0.39) MAPTALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL8553085 0.81 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL1984012 0.80 NTRK1 (0.48) MAPTALDH1A1SMN1; SMN2LMNACA12
SCHEMBL8553207 0.79 P2RY12 (0.42) MAPTALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL8554113 0.77 FPR1 (0.47) MAPTALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL8556673 0.73 PTGES (0.40) MAPTALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL8554369 0.72 GAA (0.46) MAPTALDH1A1SMN1; SMN2LMNACYP3A4

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