SCHEMBL6941539

SCHEMBL6941539

Cc1ccccc1NC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 2/20 0.64
MAPT P10636 11/20 0.59
MEN1 O00255 10/20 0.59
KMT2A Q03164 10/20 0.59
HTT P42858 6/20 0.59
MAPK1 P28482 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 2/20 0.59
LMNA P02545 5/20 0.57
NPSR1 Q6W5P4 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MYOC Q99972 1/20 0.57
POLB P06746 2/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
PPIA P62937 1/20 0.52
ABCG2 Q9UNQ0 2/20 0.52

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
SCHEMBL17978616 0.92 DDX3X (0.73) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL6941536 0.88 DDX3X (0.57) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL6939617 0.86 KMT2A (0.60) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL6941599 0.85 MAPT (0.62) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL6939392 0.85 MEN1 (0.79) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL6939610 0.85 MAPT (0.58) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL6939929 0.85 MAPT (0.62) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL6939390 0.85 MEN1 (0.60) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL6936818 0.84 MEN1 (0.54) DDX3XMAPTMEN1KMT2AHTT
SCHEMBL6936821 0.84 MEN1 (0.68) MAPTMEN1KMT2AHTTMAPK1

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 2 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