SCHEMBL365909

SCHEMBL365909

O=C(NCCO)c1ccc2c(C(=O)O)c3ccccc3n2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
KDM4E B2RXH2 5/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AGTR1 P30556 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FYN P06241 2/20 0.40
SCN9A Q15858 1/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 1/20 0.40
CACNA1B Q00975 1/20 0.40

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
Potassium Ion SCHEMBL367741 0.88 LMNA (0.44) LMNAKDM4EHPGDALDH1A1NPSR1
SCHEMBL365666 0.87 HPGD (0.52) KDM4EHPGDALDH1A1EGFRSRC
SCHEMBL365750 0.87 POLB (0.46) LMNAKDM4EHPGDALDH1A1EGFR
SCHEMBL366536 0.86 EGFR (0.53) KDM4EHPGDALDH1A1EGFRSRC
SCHEMBL366371 0.82 EGFR (0.45) KDM4EHPGDALDH1A1EGFRSRC
SCHEMBL365935 0.81 KDM4E (0.47) KDM4EHPGDALDH1A1EGFRSRC
SCHEMBL31060260 0.81 KDM4E (0.45) LMNAKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL365908 0.81 KDM4E (0.45) LMNAKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL366784 0.78 SCN9A (0.50) EGFRSRCAGTR1SCN9A
SCHEMBL364296 0.77 ALDH1A1 (0.49) LMNAKDM4EHPGDALDH1A1EGFR

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed