SCHEMBL6943799

SCHEMBL6943799

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MAPT P10636 7/20 0.52
LMNA P02545 2/20 0.52
PPIA P62937 1/20 0.52
HTT P42858 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 4/20 0.51
GLA P06280 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
MAPK1 P28482 2/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL6939390 0.94 MEN1 (0.60) MEN1KMT2AMAPTLMNAPPIA
SCHEMBL6941463 0.88 MAPT (0.61) MEN1KMT2AMAPTLMNAPPIA
SCHEMBL6936818 0.88 MEN1 (0.54) MEN1KMT2AMAPTLMNAPPIA
SCHEMBL6937509 0.88 ABCG2 (0.68) MEN1KMT2AMAPTLMNAPPIA
SCHEMBL6939919 0.87 MAPT (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6940437 0.86 MAPT (0.60) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6941235 0.86 MAPT (0.56) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6943802 0.86 MEN1 (0.68) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6937999 0.86 MEN1 (0.53) MEN1KMT2AMAPTLMNAPPIA
SCHEMBL6939929 0.84 MAPT (0.62) MEN1KMT2AMAPTLMNAHTT

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