SCHEMBL6936818

SCHEMBL6936818

Cc1ccc(NC(=O)Nc2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
MAPT P10636 9/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 3/20 0.52
MAPK1 P28482 3/20 0.52
HPGD P15428 2/20 0.52
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 4/20 0.51
LMNA P02545 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.49
PPIA P62937 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
MYOC Q99972 1/20 0.48
DDX3X O00571 1/20 0.48
CXCR1 P25024 1/20 0.47

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) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6937543 0.90 DDX3X (0.50) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6941463 0.88 MAPT (0.61) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6943799 0.88 MEN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6941536 0.87 DDX3X (0.57) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6941597 0.86 MAPT (0.57) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6936821 0.86 MEN1 (0.68) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6937999 0.86 MEN1 (0.53) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6937509 0.85 ABCG2 (0.68) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6941539 0.84 DDX3X (0.64) MEN1KMT2AMAPTSMN1; SMN2HTT

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