SCHEMBL9566906

SCHEMBL9566906

O=C(NCCO)Oc1ccnc(COCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
BRD4 O60885 1/20 0.40
EPHX1 P07099 2/20 0.40
LNPEP Q9UIQ6 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
SCHEMBL9566784 0.88 LMNA (0.44) SMN1; SMN2LMNATAAR1NPC1GAA
SCHEMBL9566730 0.86 KDM4E (0.45) LMNATAAR1NPC1GAARAB9A
SCHEMBL9517034 0.82 LNPEP (0.44) LNPEP
SCHEMBL9566847 0.81 SMN1; SMN2 (0.48) SMN1; SMN2EPHX1
SCHEMBL9566774 0.75 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL9566819 0.74 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL2243907 0.72 SMN1; SMN2 (0.63) SMN1; SMN2TAAR1NPC1GAARAB9A
SCHEMBL9566834 0.72 LOXL2 (0.41)
SCHEMBL9517033 0.72 KDM4C (0.52)
SCHEMBL9566858 0.71 HPGD (0.43) SMN1; SMN2NPC1RAB9A

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