SCHEMBL3663749

SCHEMBL3663749

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
DOT1L Q8TEK3 1/20 0.43
PLK1 P53350 1/20 0.42
HSD17B2 P37059 4/20 0.42
HSD17B1 P14061 3/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.39
PDE10A Q9Y233 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
CSF1R P07333 1/20 0.38
MEN1 O00255 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
SCHEMBL3658385 0.96 ALOX15 (0.45) ALOX15HTTDOT1LPLK1HSD17B2
SCHEMBL3662845 0.95 ALOX15 (0.44) ALOX15HTTDOT1LPLK1HSD17B2
SCHEMBL3661703 0.94 ALOX15 (0.43) ALOX15HTTDOT1LPLK1HSD17B2
SCHEMBL3660490 0.94 ALOX15 (0.43) ALOX15HTTDOT1LPLK1HSD17B2
SCHEMBL3661387 0.90 ALOX15 (0.46) ALOX15HTTDOT1LPLK1HSD17B2
SCHEMBL3662840 0.89 ALOX15 (0.44) ALOX15HTTDOT1LPLK1HSD17B2
SCHEMBL3662091 0.88 ALOX15 (0.43) ALOX15HTTDOT1LPLK1HSD17B2
SCHEMBL3654858 0.88 ALOX15 (0.43) ALOX15HTTDOT1LPLK1HSD17B2
SCHEMBL3658207 0.86 ALOX15 (0.43) ALOX15HTTDOT1LPLK1HSD17B2
SCHEMBL3654515 0.85 ALOX15 (0.42) ALOX15HTTDOT1LPLK1HSD17B2

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