SCHEMBL6941542

SCHEMBL6941542

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.63
GRIK1 P39086 3/20 0.62
IDH2 P48735 1/20 0.59
RXFP1 Q9HBX9 3/20 0.57
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 1/20 0.55
KDR P35968 4/20 0.55
BRAF P15056 4/20 0.54
MAPK14 Q16539 4/20 0.54
TNNI3K Q59H18 3/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 2/20 0.53
KIF11 P52732 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
TP53 P04637 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 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
SCHEMBL6943827 0.89 ABCG2 (0.68) TRPV1MEN1MAPTKMT2ALMNA
SCHEMBL22225457 0.88 TRPV1 (0.63) TRPV1GRIK1RXFP1MEN1MAPT
SCHEMBL8095636 0.87 MAPK14 (0.69) TRPV1GRIK1MEN1MAPTKMT2A
SCHEMBL6943829 0.83 RORC (0.52) MEN1MAPTKMT2ALMNAABCG2
SCHEMBL17103677 0.82 TRPV1 (0.72) TRPV1GRIK1RXFP1MEN1MAPT
SCHEMBL29572518 0.82 TRPV1 (0.72) TRPV1GRIK1RXFP1MEN1MAPT
SCHEMBL8104822 0.82 MAPT (0.65) MEN1MAPTKMT2ALMNAKDR
SCHEMBL18013182 0.81 TRPV1 (0.72) TRPV1GRIK1MEN1MAPTKMT2A
SCHEMBL8104833 0.80 P2RY1 (0.61) MEN1MAPTKMT2ALMNAMAPK14
SCHEMBL7625685 0.80 MAPT (0.57) MEN1MAPTKMT2ALMNAHTT

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