SCHEMBL9876018

SCHEMBL9876018

CN(C)S(=O)(=O)n1cnc(-c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD11B1 P28845 2/20 0.39
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
F2RL3 Q96RI0 1/20 0.36
TP53 P04637 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL9876158 0.73 LMNA (0.42) ALPLKDM4ELMNAMCOLN3ALDH1A1
SCHEMBL9876241 0.72 LMNA (0.41) ALPLKDM4ELMNAMCOLN3ALDH1A1
SCHEMBL2184244 0.72 TSHR (0.54) KDM4ELMNAALDH1A1NPSR1MAPT
SCHEMBL21112178 0.71 GBA1 (0.32)
SCHEMBL21112179 0.71 GBA1 (0.32)
SCHEMBL9876169 0.71 LMNA (0.43) ALPLLMNAMCOLN3ALDH1A1HSP90AA1
SCHEMBL9876901 0.70 LMNA (0.42) ALPLKDM4ELMNAMCOLN3ALDH1A1
SCHEMBL9875374 0.70 HTT (0.33) KDM4ELMNAMCOLN3ALDH1A1NPSR1
SCHEMBL9876151 0.70 HTT (0.36) KDM4EMCOLN3ALDH1A1TP53
SCHEMBL4046417 0.70 MEN1 (0.40) KDM4ELMNAALDH1A1NPSR1CYP3A4

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