SCHEMBL11547369

SCHEMBL11547369

O=C(O)CCOc1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GLO1 Q04760 1/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.43
CES1 P23141 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
LTA4H P09960 6/20 0.42
POLB P06746 1/20 0.42
ELANE P08246 2/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2539650 0.84 MEN1 (0.50) RAB9AKDM4EGLO1NPC1LMNA
SCHEMBL10489374 0.83 RAB9A (0.45) RAB9AKDM4EGLO1NPC1LMNA
SCHEMBL9803899 0.80 LTA4H (0.46) RAB9AKDM4ENPC1LMNATP53
SCHEMBL13481254 0.78 NPC1 (0.50) RAB9ANPC1LMNATP53SMN1; SMN2
SCHEMBL16726530 0.78 LOXL2 (0.53) RAB9AKDM4ENPC1LMNATP53
SCHEMBL6608244 0.77 LTA4H (0.44) RAB9AKDM4ENPC1LMNATP53
SCHEMBL9403508 0.77 KMT2A (0.44) RAB9AKDM4ENPC1TP53SMN1; SMN2
SCHEMBL18013086 0.76 MAPT (0.53) LMNATP53KMT2ATDP1L3MBTL1
SCHEMBL8650517 0.76 RAB9A (0.45) RAB9AKDM4EGLO1NPC1LMNA
SCHEMBL8707412 0.74 TSHR (0.57) RAB9AKDM4ENPC1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005501-A2 Heteroaryloxy-acetamides, process for their preparation and their use as herbicides BAYER AG (DE) 1979-11-28 EP disclosed