SCHEMBL8105102

SCHEMBL8105102

O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(F)cc1F

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
MEN1 O00255 7/20 0.69
KMT2A Q03164 7/20 0.69
NPC1 O15118 4/20 0.69
RAB9A P51151 4/20 0.69
NPSR1 Q6W5P4 2/20 0.69
MAPK1 P28482 2/20 0.69
MYOC Q99972 1/20 0.69
HTT P42858 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
LMNA P02545 4/20 0.63
ALDH1A1 P00352 1/20 0.63
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
RAF1 P04049 1/20 0.56
HSPB1 P04792 2/20 0.55
HRH3 Q9Y5N1 2/20 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
SCHEMBL8110952 0.91 MAPT (0.69) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8104824 0.87 MEN1 (0.85) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6940403 0.86 MAPT (0.61) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6940440 0.86 MEN1 (0.67) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8110807 0.85 MEN1 (0.72) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL11004478 0.83 MEN1 (1.00) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8095658 0.83 NPC1 (0.70) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8104822 0.81 MAPT (0.65) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4686951 0.79 MEN1 (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4686948 0.79 MEN1 (0.54) MAPTMEN1KMT2ANPC1RAB9A

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