SCHEMBL6936821

SCHEMBL6936821

Cc1ccc(NC(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.68
KMT2A Q03164 12/20 0.68
MAPT P10636 9/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
MAPK1 P28482 4/20 0.68
HPGD P15428 3/20 0.68
HTT P42858 3/20 0.68
LMNA P02545 4/20 0.63
NPC1 O15118 4/20 0.61
RAB9A P51151 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MYOC Q99972 1/20 0.57
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ACHE P22303 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PTGES O14684 1/20 0.52
HTR1E P28566 1/20 0.52
S1PR3 Q99500 1/20 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
SCHEMBL6939392 0.92 MEN1 (0.79) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL4115432 0.91 MEN1 (0.82) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL6937549 0.90 MEN1 (0.63) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL6941599 0.87 MAPT (0.62) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL11768264 0.87 MEN1 (0.69) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL6936818 0.86 MEN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL6941464 0.85 MEN1 (0.68) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL6943802 0.85 MEN1 (0.68) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL6939617 0.85 KMT2A (0.60) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL6938002 0.84 MEN1 (0.66) MEN1KMT2AMAPTSMN1; SMN2MAPK1

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