SCHEMBL6175140

SCHEMBL6175140

CC#CC(C)(CO[Si](C)(C)C(C)(C)C)NC(=O)C(CC)Oc1ccc2ncccc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 1/20 0.37
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
NR2F2 P24468 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6175940 0.87 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2KDM4EPPARG
SCHEMBL4951418 0.86 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2KDM4EPPARG
SCHEMBL4948995 0.84 ALDH1A1 (0.40) ALDH1A1RAB9ASMN1; SMN2KDM4EPPARG
SCHEMBL6173111 0.82 ALDH1A1 (0.43) ALDH1A1RAB9ASMN1; SMN2KDM4EPPARG
SCHEMBL6252253 0.81 NPSR1 (0.32) NPSR1
SCHEMBL4951768 0.78 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2KDM4EPPARG
SCHEMBL4951376 0.77 ALDH1A1 (0.45) ALDH1A1RAB9ASMN1; SMN2KDM4EPPARG
SCHEMBL4955401 0.76 ALDH1A1 (0.43) ALDH1A1RAB9ASMN1; SMN2KDM4EPPARG
SCHEMBL4949566 0.74 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2KDM4EPPARG
SCHEMBL4949107 0.73 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KDM4EHTTLMNA

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