SCHEMBL6175940

SCHEMBL6175940

CC#CC(C)(CO)NC(=O)C(CC)Oc1ccc2ncccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
NPC1 O15118 2/20 0.38
ALOX5 P09917 1/20 0.37
GAA P10253 1/20 0.37
FCER2 P06734 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.37
PLK1 P53350 1/20 0.37
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
NR2F2 P24468 1/20 0.36
MET P08581 1/20 0.36

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
SCHEMBL4951418 0.91 ALDH1A1 (0.46) ALDH1A1ALOX15HTTSMN1; SMN2RAB9A
SCHEMBL6175140 0.87 ALDH1A1 (0.40) ALDH1A1ALOX15HTTSMN1; SMN2RAB9A
SCHEMBL4951768 0.84 ALDH1A1 (0.44) ALDH1A1ALOX15HTTSMN1; SMN2RAB9A
SCHEMBL6173111 0.83 ALDH1A1 (0.43) ALDH1A1ALOX15HTTSMN1; SMN2RAB9A
SCHEMBL4951376 0.81 ALDH1A1 (0.45) ALDH1A1ALOX15HTTSMN1; SMN2RAB9A
SCHEMBL4955401 0.81 ALDH1A1 (0.43) ALDH1A1ALOX15HTTSMN1; SMN2RAB9A
SCHEMBL4949566 0.78 ALDH1A1 (0.46) ALDH1A1ALOX15HTTSMN1; SMN2RAB9A
SCHEMBL4948995 0.78 ALDH1A1 (0.40) ALDH1A1ALOX15HTTSMN1; SMN2RAB9A
SCHEMBL4954177 0.77 ALDH1A1 (0.39) ALDH1A1ALOX15HTTSMN1; SMN2RAB9A
SCHEMBL6671619 0.77 ALDH1A1 (0.33) ALDH1A1GAA

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-1567010-A1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004047538-A1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 WO disclosed