SCHEMBL8378283

SCHEMBL8378283

COC(=O)Oc1ncccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.43
SSTR4 P31391 1/20 0.43
ATM Q13315 1/20 0.43
PLAU P00749 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 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
SCHEMBL6639870 0.91 KDM4E (0.50) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL27929103 0.84 KDM4E (0.46) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL8374606 0.84 ALDH1A1 (0.45) KDM4ERAB9ANPC1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL8374642 0.83 ALDH1A1 (0.44) KDM4ERAB9ANPC1SMN1; SMN2GAA
SCHEMBL2485976 0.80 NPC1 (0.58) KDM4EHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL2043804 0.80 CTSA (0.49) SMN1; SMN2GAAALDH1A1ATM
SCHEMBL4634043 0.79 TDP1 (0.42) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL31410892 0.79 ALDH1A1 (0.42) KDM4ERAB9ANPC1SMN1; SMN2GAA
Carbamic Acid SCHEMBL28265554 0.79 PLAU (0.53) RAB9ANPC1SMN1; SMN2GAATP53
SCHEMBL8374641 0.77 GAA (0.46) KDM4ERAB9ANPC1SMN1; SMN2GAA

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-0900202-A1 3-ALKOXYPYRIDINE-2-CARBOXYLIC ACID AMIDE ESTERS, THEIR PREPARATION AND THEIR USE AS DRUGS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-10 EP disclosed
WO-1997041103-A1 3-ALKOXYPYRIDINE-2-CARBOXYLIC ACID AMIDE ESTERS, THEIR PREPARATION AND THEIR USE AS DRUGS HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-06 WO disclosed