SCHEMBL3658486

SCHEMBL3658486

CCCCCC#CCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PLK1 P53350 1/20 0.39
HSD17B2 P37059 3/20 0.39
HSD17B1 P14061 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
DOT1L Q8TEK3 1/20 0.38
ALOX5 P09917 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3660825 0.94 ALOX15 (0.43) ALOX15HTTALDH1A1LMNASMN1; SMN2
SCHEMBL3656939 0.90 ALOX15 (0.45) ALOX15HTTALDH1A1LMNASMN1; SMN2
SCHEMBL3659320 0.89 PPARG (0.43) ALOX15HTTALDH1A1LMNASMN1; SMN2
SCHEMBL3661185 0.88 ALOX15 (0.42) ALOX15HTTALDH1A1LMNASMN1; SMN2
SCHEMBL3659929 0.87 ALOX15 (0.42) ALOX15HTTALDH1A1LMNASMN1; SMN2
SCHEMBL3656813 0.87 ALOX15 (0.46) ALOX15HTTALDH1A1LMNASMN1; SMN2
SCHEMBL3654858 0.86 ALOX15 (0.43) ALOX15HTTALDH1A1LMNASMN1; SMN2
SCHEMBL3654515 0.85 ALOX15 (0.42) ALOX15HTTALDH1A1PLK1HSD17B2
SCHEMBL3659125 0.84 ALOX15 (0.42) ALOX15HTTPLK1HSD17B2HSD17B1
SCHEMBL3658207 0.84 ALOX15 (0.43) ALOX15HTTALDH1A1LMNASMN1; SMN2

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-2215062-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
WO-2009069792-A1 AMIDE COMPOUNDS AND PLANT DISEASE CONTROLLING METHOD USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-04 WO disclosed