SCHEMBL8104824

SCHEMBL8104824

O=C(Nc1ccc(F)cc1)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.85
KMT2A Q03164 10/20 0.85
MAPT P10636 6/20 0.85
MAPK1 P28482 3/20 0.85
NPC1 O15118 2/20 0.85
RAB9A P51151 1/20 0.85
NPSR1 Q6W5P4 1/20 0.85
MYOC Q99972 1/20 0.85
HSPB1 P04792 1/20 0.71
GAA P10253 2/20 0.61
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 2/20 0.56
HTT P42858 3/20 0.55
ALDH1A1 P00352 2/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL11004478 0.92 MEN1 (1.00) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL8110952 0.87 MAPT (0.69) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL8104822 0.87 MAPT (0.65) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL8105102 0.87 MAPT (0.69) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL11832409 0.87 MEN1 (0.88) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL11027238 0.87 MEN1 (0.88) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL11007267 0.85 MEN1 (0.85) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL8109120 0.85 MEN1 (0.85) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL11838723 0.85 MEN1 (0.85) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL8109093 0.85 MEN1 (0.78) MEN1KMT2AMAPTMAPK1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042278-A1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF Slovakofarma, A.S. (SK) 2000-10-11 EP disclosed
WO-1999032437-A1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF SLOVAKOFARMA, A.S. (SK) 1999-07-01 WO disclosed