SCHEMBL6940443

SCHEMBL6940443

O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.62
KMT2A Q03164 14/20 0.62
MAPT P10636 10/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 7/20 0.58
HTT P42858 6/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
NPSR1 Q6W5P4 3/20 0.58
RAB9A P51151 3/20 0.58
GAA P10253 2/20 0.58
XBP1 P17861 1/20 0.58
CCR6 P51684 1/20 0.58
EPHX1 P07099 2/20 0.58
EPHX2 P34913 2/20 0.58
MAPK1 P28482 4/20 0.58
HPGD P15428 3/20 0.58
NPC1 O15118 4/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
SLC6A2 P23975 1/20 0.56

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 0.87 MEN1 (0.79) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6941464 0.86 MEN1 (0.68) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6940442 0.86 MAPT (0.54) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL7625813 0.85 MEN1 (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6937560 0.83 MEN1 (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6939527 0.83 KMT2A (0.67) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6939610 0.82 MAPT (0.58) MEN1KMT2AMAPTLMNAHTT
SCHEMBL32689896 0.81 CA12 (0.71) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL4548109 0.81 CA12 (0.71) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL6943802 0.81 MEN1 (0.68) 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 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