SCHEMBL9566730

SCHEMBL9566730

COCCCNC(=O)Oc1ccnc(COCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40

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 0.94 LMNA (0.44) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL9566818 0.87 ALDH1A1 (0.44) KDM4EMEN1KMT2AHPGDGAA
SCHEMBL9566906 0.86 SPHK2 (0.45) LMNANPC1GAARAB9ATAAR1
SCHEMBL9566743 0.82 ALDH1A1 (0.44) KDM4EMEN1KMT2AHPGDGAA
Hydrochloric Acid SCHEMBL9566744 0.81 ALDH1A1 (0.43) KDM4ELMNAMEN1KMT2ANPC1
SCHEMBL9566858 0.80 HPGD (0.43) NPC1HPGDRAB9AL3MBTL1MAPT
SCHEMBL9566834 0.80 LOXL2 (0.41) HPGD
SCHEMBL9517034 0.78 LNPEP (0.44) KDM4EMEN1KMT2AL3MBTL1KDM4C
SCHEMBL9566774 0.78 SMN1; SMN2 (0.39)
SCHEMBL9706010 0.77 HPGD (0.44) KDM4ELMNAMEN1KMT2AHPGD

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