SCHEMBL7752772

SCHEMBL7752772

CCO/C(=N/OCc1ccc(Cl)s1)c1ccccc1/C(=N\OC)C(=O)NC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 3/20 0.32
HIF1A Q16665 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
KLKB1 P03952 1/20 0.31
KLK1 P06870 1/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RAB9A P51151 2/20 0.30
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL7747800 0.89 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2KDM4EHIF1AMAPT
SCHEMBL7751834 0.89 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2KDM4EHIF1AMAPT
SCHEMBL8504220 0.74 HIF1A (0.45) ALDH1A1KDM4EHIF1ALMNARAB9A
SCHEMBL14877479 0.68 HIF1A (0.42) ALDH1A1HIF1ALMNAHTT
SCHEMBL8846269 0.67 NPC1 (0.41) ALDH1A1SMN1; SMN2KDM4EHIF1AL3MBTL1
SCHEMBL8846279 0.67 NPC1 (0.41) ALDH1A1SMN1; SMN2KDM4EHIF1AL3MBTL1
SCHEMBL8761028 0.66 SIRT2 (0.38) ALDH1A1KDM4EHIF1AMAPTF2
SCHEMBL23972111 0.66 KMT2A (0.37) ALDH1A1SMN1; SMN2KDM4EHIF1AMAPT
SCHEMBL7741705 0.66 HIF1A (0.39) HIF1A
SCHEMBL13148667 0.66 HIF1A (0.46) ALDH1A1HIF1AKMT2ALMNA

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
EP-1070052-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 2001-01-24 EP disclosed
WO-1999051579-A1 FUNGICIDE COMPOSITIONS COMPRISING A HYDROXIMIC OR HYDRAZONIC GROUP AVENTIS CROPSCIENCE S.A. (FR) 1999-10-14 WO disclosed