SCHEMBL9566729

SCHEMBL9566729

COc1ccccc1NC(=O)c1ccc(COC(=O)c2ccccc2)nc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
AHR P35869 1/20 0.66
P4HTM Q9NXG6 2/20 0.65
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MLYCD O95822 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL9566876 0.88 MEN1 (0.69) KMT2AMEN1AHRP4HTMMAPT
SCHEMBL9566822 0.87 MEN1 (0.74) KMT2AMEN1AHRP4HTMMAPT
SCHEMBL9566733 0.86 MEN1 (0.66) KMT2AMEN1AHRP4HTMMAPT
SCHEMBL9566794 0.84 MEN1 (0.74) KMT2AMEN1AHRP4HTMMAPT
SCHEMBL9566749 0.84 KMT2A (0.66) KMT2AMEN1AHRP4HTMMAPT
SCHEMBL9566763 0.83 AHR (0.69) KMT2AMEN1AHRP4HTMMAPT
SCHEMBL6927927 0.79 MEN1 (0.66) KMT2AMEN1AHRP4HTMMAPT
SCHEMBL9566777 0.79 P4HTM (0.61) KMT2AMEN1P4HTMMAPTKDM4E
SCHEMBL9517975 0.79 P4HTM (0.53) KMT2AP4HTMRAB9ANPC1SMN1; SMN2
SCHEMBL527994 0.78 RAB9A (0.77) KMT2AMEN1AHRP4HTMMAPT

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