SCHEMBL5657411

SCHEMBL5657411

COc1ccnc([C]=O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 4/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 1/20 0.39
ALOX12 P18054 1/20 0.39
ERN1 O75460 4/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
IKBKB O14920 1/20 0.35
MCL1 Q07820 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
SCHEMBL17416877 0.81 ALDH1A1 (0.42) MAPTKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL28329652 0.81 MAPT (0.39) MAPTKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL4074994 0.73 PLAU (0.43) ALDH1A1LMNATP53NPC1RAB9A
SCHEMBL7118342 0.72 MAPK1 (0.45) MAPTKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL8198856 0.72 KDM4E (0.45) MAPTKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL24122438 0.71 MAPT (0.44) MAPTKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL30032251 0.71 NOS3 (0.44) MAPTKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL15469493 0.71 MAPT (0.43) MAPTKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL5657009 0.71 KDM4E (0.43) MAPTKDM4EMAPK1HSD17B10ALDH1A1
SCHEMBL28861826 0.71 KDM4E (0.43) MAPTKDM4EMAPK1HSD17B10ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250389-B1 Antifungal compound and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-31 US claimed
EP-3240409-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
WO-2016109301-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed