SCHEMBL6937552

SCHEMBL6937552

O=C(Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1)Nc1c(F)cccc1F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
MAPT P10636 7/20 0.53
KMT2A Q03164 7/20 0.50
MEN1 O00255 5/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 3/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MYOC Q99972 1/20 0.50
PYGL P06737 3/20 0.49
PYGM P11217 3/20 0.49
PPIA P62937 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HSPB1 P04792 2/20 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
SCHEMBL6941701 0.92 ATM (0.63) ATMMAPTKMT2AMEN1RAB9A
SCHEMBL6940372 0.86 MAPT (0.53) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL6939752 0.86 MAPT (0.58) ATMMAPTKMT2AMEN1RAB9A
SCHEMBL6943988 0.85 MAPT (0.59) ATMMAPTKMT2AMEN1RAB9A
SCHEMBL6940403 0.85 MAPT (0.61) ATMMAPTKMT2AMEN1RAB9A
SCHEMBL8104822 0.85 MAPT (0.65) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL6939932 0.83 LPAR1 (0.62) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL7622098 0.82 MAPT (0.61) ATMMAPTKMT2AMEN1RAB9A
SCHEMBL8104860 0.82 DDX3X (0.57) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL6943829 0.81 RORC (0.52) ATMMAPTKMT2AMEN1RAB9A

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