SCHEMBL8553758

SCHEMBL8553758

CCn1nc(C)c(C#N)c1NC(=O)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1A P35348 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
P2RY12 Q9H244 2/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
FPR1 P21462 1/20 0.41
HTT P42858 1/20 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
SCHEMBL8554531 0.90 MAPT (0.43) ALDH1A1SMN1; SMN2LMNACYP3A4THRB
SCHEMBL8555738 0.87 TDP1 (0.44) ALDH1A1SMN1; SMN2LMNACYP3A4THRB
SCHEMBL8552593 0.87 MAPT (0.41) ALDH1A1SMN1; SMN2LMNACYP3A4THRB
SCHEMBL8553085 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNACYP3A4THRB
SCHEMBL8551950 0.82 STS (0.39) ALDH1A1SMN1; SMN2LMNACYP3A4THRB
SCHEMBL1984012 0.82 NTRK1 (0.48) ALDH1A1SMN1; SMN2LMNAMAPTCA12
SCHEMBL8553207 0.79 P2RY12 (0.42) ALDH1A1SMN1; SMN2LMNACYP3A4THRB
SCHEMBL8554113 0.79 FPR1 (0.47) ALDH1A1SMN1; SMN2LMNACYP3A4THRB
SCHEMBL8554369 0.75 GAA (0.46) ALDH1A1SMN1; SMN2LMNACYP3A4THRB
SCHEMBL8550650 0.73 FPR1 (0.53) ALDH1A1LMNAKDM4EFPR1HTT

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