SCHEMBL9876071

SCHEMBL9876071

CN(C)S(=O)(=O)n1cc(-c2ccccc2[N+](=O)[O-])nc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
F2RL3 Q96RI0 1/20 0.41
MAOB P27338 1/20 0.38
EIF4E P06730 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
IKBKB O14920 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.35
PTPN1 P18031 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM1A O60341 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
SCHEMBL9876241 0.72 LMNA (0.41) ALDH1A1MAPTKDM4ETDP1HPGD
SCHEMBL9876453 0.65 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EF2RL3MAOB
SCHEMBL21708005 0.63 NPC1 (0.52) ALDH1A1MAPTKDM4EF2RL3MAOB
SCHEMBL9733639 0.63 SORD (0.30)
SCHEMBL220899 0.62 CASP3 (0.61) ALDH1A1MAPTKDM4EF2RL3SMN1; SMN2
SCHEMBL27168187 0.61 MAOB (0.48) ALDH1A1MAPTF2RL3MAOBSMN1; SMN2
SCHEMBL9737725 0.61 TSHR (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2HPGD
SCHEMBL11856855 0.61 HSD11B1 (0.45) ALDH1A1MAPTKDM4ESMN1; SMN2TDP1
SCHEMBL19468379 0.61 F2RL3 (0.46) ALDH1A1MAPTKDM4EF2RL3MAOB
SCHEMBL10337977 0.61 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ETDP1HPGD

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