SCHEMBL3662840

SCHEMBL3662840

CC#CCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
PLK1 P53350 1/20 0.41
HSD17B2 P37059 4/20 0.41
HSD17B1 P14061 3/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
DOT1L Q8TEK3 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
RECQL P46063 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
PDE10A Q9Y233 2/20 0.38
HPGD P15428 1/20 0.38
CSF1R P07333 1/20 0.38

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
SCHEMBL3658207 0.95 ALOX15 (0.43) ALOX15HTTPLK1HSD17B2HSD17B1
SCHEMBL3654515 0.94 ALOX15 (0.42) ALOX15HTTPLK1HSD17B2HSD17B1
SCHEMBL3659125 0.93 ALOX15 (0.42) ALOX15HTTPLK1HSD17B2HSD17B1
SCHEMBL3654858 0.91 ALOX15 (0.43) ALOX15HTTPLK1HSD17B2HSD17B1
SCHEMBL3662091 0.91 ALOX15 (0.43) ALOX15HTTPLK1HSD17B2HSD17B1
SCHEMBL3656813 0.90 ALOX15 (0.46) ALOX15HTTPLK1HSD17B2HSD17B1
SCHEMBL3663749 0.89 ALOX15 (0.45) ALOX15HTTPLK1HSD17B2HSD17B1
SCHEMBL3658385 0.87 ALOX15 (0.45) ALOX15HTTPLK1HSD17B2HSD17B1
SCHEMBL3659320 0.87 PPARG (0.43) ALOX15HTTPLK1HSD17B2HSD17B1
SCHEMBL3659929 0.87 ALOX15 (0.42) ALOX15HTTPLK1HSD17B2HSD17B1

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