SCHEMBL6944035

SCHEMBL6944035

O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
KDM4E B2RXH2 2/20 0.59
RAB9A P51151 4/20 0.57
POLB P06746 3/20 0.56
CYP1A2 P05177 1/20 0.56
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NOX1 Q9Y5S8 1/20 0.54
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.53
ALOX5 P09917 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
NPC1 O15118 2/20 0.52
NPSR1 Q6W5P4 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
SCHEMBL6944030 0.88 ALOX5 (0.53) MAPTKDM4EPOLBCYP1A2KMT2A
SCHEMBL6939392 0.83 MEN1 (0.79) MAPTRAB9APOLBKMT2AMEN1
SCHEMBL6939929 0.83 MAPT (0.62) MAPTRAB9APOLBCYP1A2KMT2A
SCHEMBL6941539 0.83 DDX3X (0.64) MAPTRAB9APOLBKMT2AMEN1
SCHEMBL6939610 0.83 MAPT (0.58) MAPTKDM4ERAB9APOLBKMT2A
SCHEMBL6939390 0.83 MEN1 (0.60) MAPTRAB9AKMT2AMEN1ALDH1A1
SCHEMBL6942228 0.81 MEN1 (0.59) MAPTRAB9APOLBKMT2AMEN1
SCHEMBL7623004 0.81 MEN1 (0.58) MAPTRAB9ACYP1A2KMT2AMEN1
SCHEMBL6938062 0.80 ABCG2 (0.59) MAPTKDM4ERAB9AKMT2AMEN1
SCHEMBL6942225 0.78 MEN1 (0.49) MAPTRAB9AKMT2AMEN1ALDH1A1

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