SCHEMBL6937549

SCHEMBL6937549

Cc1cc(C)cc(NC(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.63
KMT2A Q03164 13/20 0.63
MAPT P10636 10/20 0.63
MAPK1 P28482 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
HPGD P15428 3/20 0.63
HTT P42858 3/20 0.63
LMNA P02545 4/20 0.59
NPSR1 Q6W5P4 3/20 0.57
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.54
MYOC Q99972 2/20 0.54
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL6936821 0.90 MEN1 (0.68) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL6939392 0.89 MEN1 (0.79) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL6937543 0.84 DDX3X (0.50) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL7625813 0.84 MEN1 (0.62) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL6941599 0.84 MAPT (0.62) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL11768264 0.83 MEN1 (0.69) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL6941464 0.82 MEN1 (0.68) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL6943802 0.82 MEN1 (0.68) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL6939617 0.82 KMT2A (0.60) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL4115432 0.81 MEN1 (0.82) MEN1KMT2AMAPTMAPK1SMN1; SMN2

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