SCHEMBL6941235

SCHEMBL6941235

O=C(Nc1cc(F)ccc1F)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 5/20 0.51
MAPK1 P28482 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 5/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL6940437 0.91 MAPT (0.60) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6939919 0.90 MAPT (0.59) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6943799 0.86 MEN1 (0.54) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6941240 0.85 MEN1 (0.65) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6941248 0.84 MAPT (0.50) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6939390 0.82 MEN1 (0.60) MAPTMEN1KMT2ALMNAHTT
SCHEMBL7625802 0.81 MAPT (0.50) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6939606 0.80 KMT2A (0.56) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL6941536 0.80 DDX3X (0.57) MAPTMEN1KMT2ALMNAHTT
SCHEMBL6939524 0.80 MAPT (0.57) MAPTMEN1KMT2ALMNAHTT

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