SCHEMBL9566784

SCHEMBL9566784

COCCNC(=O)Oc1ccnc(COCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LNPEP Q9UIQ6 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 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
SCHEMBL9566730 0.94 KDM4E (0.45) LMNAGAANPC1RAB9ATAAR1
SCHEMBL9566906 0.88 SPHK2 (0.45) LMNASMN1; SMN2GAANPC1RAB9A
SCHEMBL9566834 0.86 LOXL2 (0.41) CYP1A2CYP2C9CYP2C19LOXLOXL2
SCHEMBL9566858 0.84 HPGD (0.43) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL9566810 0.81 LOXL2 (0.41) SMN1; SMN2CYP1A2CYP2C9CYP2C19LOX
SCHEMBL9517034 0.80 LNPEP (0.44) MAPTL3MBTL1LNPEPKDM4EMEN1
SCHEMBL9566818 0.79 ALDH1A1 (0.44) GAAL3MBTL1LNPEPKDM4EMEN1
SCHEMBL9354128 0.76 LOXL2 (0.48) MAPK1CYP1A2CYP2C9CYP2C19LOX
SCHEMBL9706102 0.76 LOXL2 (0.46) GAANPC1RAB9ATAAR1MAPK1
SCHEMBL9566886 0.75 MEN1 (0.41) LMNASMN1; SMN2MAPTL3MBTL1MAPK1

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