SCHEMBL17133546

SCHEMBL17133546

O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)c(O)c(O)c1O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.86
MAPT P10636 12/20 0.64
MEN1 O00255 11/20 0.64
KMT2A Q03164 11/20 0.64
KDM4E B2RXH2 6/20 0.64
ALDH1A1 P00352 5/20 0.64
TDP1 Q9NUW8 3/20 0.64
LMNA P02545 3/20 0.64
GAA P10253 1/20 0.60
ERCC1 P07992 1/20 0.60
ERCC4 Q92889 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.54
MITF O75030 1/20 0.54
SIRT1 Q96EB6 2/20 0.54
HTT P42858 3/20 0.51
HPGD P15428 1/20 0.51
THRB P10828 1/20 0.50
FTO Q9C0B1 1/20 0.48
POLB P06746 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL29380980 0.92 CFTR (1.00) CFTRMAPTMEN1KMT2AKDM4E
SCHEMBL12648530 0.92 CFTR (1.00) CFTRMAPTMEN1KMT2AKDM4E
SCHEMBL29587254 0.92 CFTR (1.00) CFTRMAPTMEN1KMT2AKDM4E
SCHEMBL12648543 0.89 CFTR (0.94) CFTRMAPTMEN1KMT2AKDM4E
SCHEMBL12648528 0.88 CFTR (0.77) CFTRMAPTMEN1KMT2AKDM4E
SCHEMBL14082216 0.87 CFTR (0.83) CFTRMAPTMEN1KMT2AKDM4E
SCHEMBL12648525 0.85 CFTR (0.78) CFTRMAPTMEN1KMT2AKDM4E
SCHEMBL12648544 0.84 CFTR (0.72) CFTRMAPTMEN1KMT2AKDM4E
SCHEMBL14082244 0.84 CFTR (0.78) CFTRMAPTMEN1KMT2AKDM4E
SCHEMBL12671818 0.83 CFTR (0.70) CFTRMAPTMEN1KMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150276719-A2 A RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING B.V. (NL) 2015-10-01 US disclosed