SCHEMBL6937553

SCHEMBL6937553

O=C(Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 3/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
BLM P54132 1/20 0.45
NOD2 Q9HC29 1/20 0.45
PDE7A Q13946 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL6939606 0.92 KMT2A (0.56) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL7623001 0.91 MAPT (0.60) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL6939614 0.86 DDX3X (0.51) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL6941248 0.86 MAPT (0.50) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL6939524 0.84 MAPT (0.57) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL6939390 0.84 MEN1 (0.60) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL6941463 0.84 MAPT (0.61) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL6940442 0.83 MAPT (0.54) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL6937560 0.83 MEN1 (0.59) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL7625802 0.83 MAPT (0.50) MAPTKMT2AMEN1MAPK1NPC1

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