SCHEMBL9876901

SCHEMBL9876901

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALPL P05186 6/20 0.38
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 3/20 0.34
PTPN1 P18031 1/20 0.34
DPP9 Q86TI2 2/20 0.34
CNR1 P21554 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9876169 0.90 LMNA (0.43) LMNAALPLHSP90AA1HSP90AB1ALDH1A1
SCHEMBL9876158 0.78 LMNA (0.42) LMNAALPLHSP90AA1HSP90AB1ALDH1A1
SCHEMBL9523406 0.77 TSHR (0.44) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL9876241 0.77 LMNA (0.41) LMNAALPLHSP90AA1HSP90AB1ALDH1A1
SCHEMBL9876172 0.76 LMNA (0.39) LMNAALPLHSP90AA1HSP90AB1ALDH1A1
SCHEMBL9876077 0.71 LMNA (0.36) LMNAALPLHSP90AA1HSP90AB1ALDH1A1
SCHEMBL9876018 0.70 ALPL (0.41) LMNAALPLHSP90AA1HSP90AB1ALDH1A1
SCHEMBL10725033 0.69 SMN1; SMN2 (0.40) LMNAALDH1A1MCOLN3KDM4EHPGD
SCHEMBL9876056 0.69
SCHEMBL7591843 0.62 LMNA (0.53) LMNAALPLHSP90AA1HSP90AB1ALDH1A1

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 2 patents. 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
EP-0284277-A1 Cyanoimidazole fungicides AgrEvo UK Limited (GB) 1988-09-28 EP disclosed