SCHEMBL9876453

SCHEMBL9876453

N#Cc1nc(-c2ccccc2[N+](=O)[O-])c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GUSB P08236 1/20 0.41
F2 P00734 1/20 0.41
C1R P00736 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IKBKB O14920 1/20 0.39
GAA P10253 3/20 0.39
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
EIF4E P06730 2/20 0.39

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
SCHEMBL9206937 0.80 ALDH1A1 (0.47) ALDH1A1HPGDMAPTKDM4ETDP1
SCHEMBL5766529 0.80 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKDM4ETDP1
SCHEMBL31218523 0.76 TRPA1 (0.40)
Hydrochloric Acid SCHEMBL14988800 0.76 MGAM (0.47) ALDH1A1HPGDMAPTTDP1MAOB
SCHEMBL8744776 0.75 LRRK2 (0.43) ALDH1A1HPGDMAPTKDM4EMAOB
SCHEMBL8744697 0.75 TRPA1 (0.37) L3MBTL1MEN1KMT2ARAB9AGAA
SCHEMBL9876232 0.75 MAPT (0.43) ALDH1A1MAPTTDP1L3MBTL1MEN1
SCHEMBL12881747 0.75 ALDH1A1 (0.57) ALDH1A1HPGDMAPTKDM4ETDP1
SCHEMBL26965121 0.73 ALDH1A1 (0.44) ALDH1A1HPGDMAPTKDM4ETDP1
SCHEMBL7432291 0.71 ADORA2A (0.41) ALDH1A1HPGDMAPTKDM4ETDP1

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