SCHEMBL6940403

SCHEMBL6940403

O=C(Nc1ccc(F)cc1F)Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
HTT P42858 4/20 0.61
LMNA P02545 4/20 0.61
ALDH1A1 P00352 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
HSPB1 P04792 1/20 0.60
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
MAPK1 P28482 2/20 0.55
P2RY1 P47900 1/20 0.54
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.49
MYOC Q99972 1/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 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
SCHEMBL6943988 0.91 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6941701 0.91 ATM (0.63) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL8105102 0.86 MAPT (0.69) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL8104822 0.86 MAPT (0.65) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6937552 0.85 ATM (0.54) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6943804 0.83 P2RY1 (0.58) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL7622098 0.81 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8104860 0.81 DDX3X (0.57) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL7622067 0.81 MAPT (0.57) MAPTMEN1KMT2ASMN1; SMN2HTT
SCHEMBL8103162 0.81 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042278-B1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF SLOVAKOFARMA AS (SK) 2003-03-05 EP disclosed
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