SCHEMBL6100182

SCHEMBL6100182

COC(=O)Cc1ccc(NC(C)=O)c(N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ GFER P55789 1/20 0.63
▸ NPC1 O15118 3/20 0.47
▸ SLC7A5 Q01650 1/20 0.46
▸ CYP4F2 P78329 1/20 0.45
▸ CYP4A11 Q02928 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.44
▸ ERAP2 Q6P179 1/20 0.43
▸ LNPEP Q9UIQ6 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PDK2 Q15119 1/20 0.41
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL24371124 0.84 GAA (0.67) GAAALDH1A1GFERNPC1SLC7A5
SCHEMBL27649299 0.82 HSD17B1 (0.51) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL30565426 0.80 ALDH1A1 (0.75) GAAALDH1A1GFERNPC1SLC7A5
SCHEMBL7237331 0.80 ALDH1A1 (0.75) GAAALDH1A1GFERNPC1SLC7A5
SCHEMBL5734658 0.80 ALDH1A1 (0.69) GAAALDH1A1GFERNPC1SLC7A5
SCHEMBL13675016 0.80 NPC1 (0.50) NPC1ERAP2LNPEPMAPTHDAC1
SCHEMBL8237704 0.79 SMN1; SMN2 (0.48) GAAALDH1A1GFERNPC1CYP4F2
SCHEMBL21310771 0.78 GAA (0.58) GAAALDH1A1GFERNPC1SLC7A5
SCHEMBL20045098 0.78 ALDH1A1 (0.71) GAAALDH1A1GFERNPC1SLC7A5
SCHEMBL8147823 0.78 ALDH1A1 (0.71) GAAALDH1A1GFERNPC1SLC7A5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112553-B1 Pesticidal indazole or benzotriazole derivatives SYNGENTA LIMITED (GB) 2006-09-26 — — US disclosed
EP-1171437-B1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES SYNGENTA LTD (GB) 2003-10-08 — — EP disclosed
EP-1171437-A1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES Syngenta Limited (GB) 2002-01-16 — — EP disclosed
WO-2000063207-A1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES SYNGENTA LIMITED (GB) 2000-10-26 — — WO disclosed
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