SCHEMBL6943827

SCHEMBL6943827

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.68
MAPT P10636 7/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
RAB9A P51151 3/20 0.60
MAPK1 P28482 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
NPC1 O15118 2/20 0.60
MYOC Q99972 1/20 0.60
PPIA P62937 1/20 0.57
RAF1 P04049 1/20 0.53
HTT P42858 3/20 0.52
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
IGF1R P08069 1/20 0.51
P2RY1 P47900 3/20 0.50
LMNA P02545 2/20 0.48
TP53 P04637 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
SCHEMBL8104822 0.89 MAPT (0.65) ABCG2MAPTMEN1KMT2ARAB9A
SCHEMBL6941542 0.89 TRPV1 (0.63) ABCG2MAPTMEN1KMT2ARAB9A
SCHEMBL8109093 0.87 MEN1 (0.78) ABCG2MAPTMEN1KMT2ARAB9A
SCHEMBL7623586 0.85 MAPT (0.64) ABCG2MAPTMEN1KMT2ARAB9A
SCHEMBL8109117 0.85 MEN1 (0.64) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL6943829 0.85 RORC (0.52) ABCG2MAPTMEN1KMT2ARAB9A
SCHEMBL8103149 0.83 MEN1 (0.67) ABCG2MAPTMEN1KMT2ARAB9A
SCHEMBL6301913 0.82 MEN1 (0.74) ABCG2MAPTMEN1KMT2ARAB9A
SCHEMBL6941701 0.82 ATM (0.63) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL8104833 0.80 P2RY1 (0.61) MAPTMEN1KMT2ARAB9AMAPK1

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