SCHEMBL9876169

SCHEMBL9876169

CN(C)S(=O)(=O)n1cc(-c2ccc(Cl)cc2Cl)nc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALPL P05186 7/20 0.41
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
CDC7 O00311 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
DBF4 Q9UBU7 2/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CCNT1 O60563 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CDK9 P50750 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
CNR1 P21554 2/20 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
SCHEMBL9876901 0.90 LMNA (0.42) LMNAALPLDPP4DPP8HSP90AA1
SCHEMBL9876158 0.79 LMNA (0.42) LMNAALPLDPP4DPP8HSP90AA1
SCHEMBL9876241 0.78 LMNA (0.41) LMNAALPLDPP4DPP8HSP90AA1
SCHEMBL9876172 0.77 LMNA (0.39) LMNAALPLHSP90AA1HSP90AB1ALDH1A1
SCHEMBL9876077 0.74 LMNA (0.36) LMNAALPLDPP4DPP8HSP90AA1
SCHEMBL9876018 0.71 ALPL (0.41) LMNAALPLHSP90AA1HSP90AB1ALDH1A1
SCHEMBL1691877 0.66 NR4A2 (0.53) LMNAALPLDPP4DPP8CCNE1
SCHEMBL30785517 0.64 CDC7 (0.47) LMNAALPLDPP4DPP8CDC7
SCHEMBL17498422 0.64 CDC7 (0.47) LMNAALPLDPP4DPP8CDC7
SCHEMBL7591843 0.63 LMNA (0.53) LMNAALPLDPP4DPP8HSP90AA1

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
US-5045557-A Imidazable fungicides and use thereof SCHERING AGROCHEMICALS LTD. (GB) 1991-09-03 US disclosed