SCHEMBL2658650

SCHEMBL2658650

NC(=O)Cc1c(O)cccc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
G6PD P11413 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLA2G2A P14555 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
PIM1 P11309 1/20 0.40
CA2 P00918 2/20 0.39
LCK P06239 1/20 0.39
METAP2 P50579 1/20 0.38

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
SCHEMBL6946233 0.81 KDM4E (0.55) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL28039022 0.77 PLA2G2A (0.47) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL23619810 0.77 AKR1B1 (0.52) ALDH1A1MAPTTSHRHSD17B10GAA
SCHEMBL9543523 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL3183114 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL18379426 0.75 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL8580446 0.74 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL8636129 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL698742 0.74 KDM4E (0.61) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL10923208 0.73 BCAT2 (0.48) KDM4EALDH1A1HPGDMAPTTSHR

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-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed