SCHEMBL6940437

SCHEMBL6940437

O=C(Nc1ccc(F)cc1F)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
HTT P42858 4/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPK1 P28482 2/20 0.54
PKM P14618 1/20 0.49
RECQL P46063 1/20 0.48
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL6941235 0.91 MAPT (0.56) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL6939919 0.90 MAPT (0.59) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL6943799 0.86 MEN1 (0.54) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL6940440 0.85 MEN1 (0.67) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL6941248 0.84 MAPT (0.50) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL6934961 0.84 RAB9A (0.54) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL6939390 0.82 MEN1 (0.60) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL6939606 0.80 KMT2A (0.56) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6941536 0.80 DDX3X (0.57) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL6939524 0.80 MAPT (0.57) MAPTMEN1KMT2AHTTALDH1A1

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 4 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
US-6444691-B1 ANTICHOLESTEROL AGENTS SOLVAKOFARMA, A.S. (SK) 2002-09-03 US 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