SCHEMBL6941240

SCHEMBL6941240

O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1cc(F)ccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 15/20 0.65
KMT2A Q03164 15/20 0.65
MAPT P10636 12/20 0.65
HTT P42858 6/20 0.65
LMNA P02545 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.60
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
MAPK1 P28482 5/20 0.53
HPGD P15428 3/20 0.53
NPSR1 Q6W5P4 4/20 0.52
ALDH1A1 P00352 3/20 0.52
TRPV1 Q8NER1 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.48
MYOC Q99972 2/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL6940440 0.91 MEN1 (0.67) MEN1KMT2AMAPTHTTLMNA
SCHEMBL6943802 0.87 MEN1 (0.68) MEN1KMT2AMAPTHTTLMNA
SCHEMBL8110952 0.86 MAPT (0.69) MEN1KMT2AMAPTHTTLMNA
SCHEMBL6939929 0.85 MAPT (0.62) MEN1KMT2AMAPTHTTLMNA
SCHEMBL6941235 0.85 MAPT (0.56) MEN1KMT2AMAPTHTTLMNA
SCHEMBL6939392 0.83 MEN1 (0.79) MEN1KMT2AMAPTHTTLMNA
SCHEMBL6943799 0.80 MEN1 (0.54) MEN1KMT2AMAPTHTTLMNA
SCHEMBL6941464 0.79 MEN1 (0.68) MEN1KMT2AMAPTHTTLMNA
SCHEMBL6941251 0.79 KMT2A (0.59) MEN1KMT2AMAPTHTTLMNA
SCHEMBL7625813 0.79 MEN1 (0.62) MEN1KMT2AMAPTHTTLMNA

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