SCHEMBL6940440

SCHEMBL6940440

O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc(F)cc1F

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.67
KMT2A Q03164 9/20 0.67
MAPT P10636 9/20 0.67
HTT P42858 7/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
LMNA P02545 5/20 0.63
ALDH1A1 P00352 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
HPGD P15428 2/20 0.53
MAPK1 P28482 1/20 0.53
TRPV1 Q8NER1 1/20 0.51
KDM4E B2RXH2 1/20 0.50
KLK7 P49862 1/20 0.50

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
SCHEMBL6941240 0.91 MEN1 (0.65) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL6943802 0.87 MEN1 (0.68) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL8105102 0.86 MAPT (0.69) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL6939929 0.85 MAPT (0.62) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL6940437 0.85 MAPT (0.60) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL6939392 0.83 MEN1 (0.79) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL6934964 0.83 RAB9A (0.62) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL6943799 0.80 MEN1 (0.54) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL13265728 0.80 SMN1; SMN2 (0.51) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL6941251 0.79 KMT2A (0.59) MEN1KMT2AMAPTHTTSMN1; 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 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