SCHEMBL9566858

SCHEMBL9566858

COCCNC(=O)Oc1ccnc(COC(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
LOXL2 Q9Y4K0 3/20 0.40
LOX P28300 2/20 0.40
KDM5B Q9UGL1 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
MGLL Q99685 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9566834 0.85 LOXL2 (0.41) HPGDLOXL2LOXCYP1A2CYP2C9
SCHEMBL9566784 0.84 LMNA (0.44) LOXL2LOXMAPTL3MBTL1NPC1
SCHEMBL9566818 0.81 ALDH1A1 (0.44) HPGDL3MBTL1
SCHEMBL9566810 0.81 LOXL2 (0.41) HPGDLOXL2LOXCYP1A2CYP2C9
SCHEMBL9566730 0.80 KDM4E (0.45) HPGDMAPTL3MBTL1NPC1RAB9A
SCHEMBL9566886 0.78 MEN1 (0.41) MAPTL3MBTL1CYP1A2SMN1; SMN2
SCHEMBL9566774 0.76 SMN1; SMN2 (0.39) MGLLSMN1; SMN2
SCHEMBL9566743 0.76 ALDH1A1 (0.44) HPGDL3MBTL1
SCHEMBL9354128 0.75 LOXL2 (0.48) HPGDLOXL2LOXCYP1A2CYP2C9
Hydrochloric Acid SCHEMBL9566744 0.75 ALDH1A1 (0.43) HPGDL3MBTL1NPC1RAB9ASMN1; SMN2

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-0533130-A1 2-Hydroxymethylpyridines, the corresponding pyridine-N-oxides and derivatives thereof, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed