SCHEMBL28048770

SCHEMBL28048770

CC(Oc1cccnc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
HTT P42858 1/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
POLB P06746 1/20 0.44
LRRK2 Q5S007 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4363303 0.80 FFAR1 (0.56) SLC6A4KDM4EADRA2AADRA2BADRA2C
SCHEMBL4946642 0.79 CHRNB2 (0.51) SMN1; SMN2CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL29854164 0.79 CHRNB2 (0.51) SMN1; SMN2CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL9423384 0.79 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL4671890 0.79 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6904351 0.76 FFAR1 (0.61) KDM4EADRA2AADRA2BADRA2CPOLB
SCHEMBL28037256 0.76 CHRNB2 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4HTT
SCHEMBL1515202 0.76 CHRNB2 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4HTT
SCHEMBL14477064 0.76 CHRNB2 (0.49) SMN1; SMN2CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2485031 0.76 CHRNB2 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4HTT

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
CN-105189515-A Furopyridines as bromodomain inhibitors GLAXOSMITHKLINE IP NO 2 LTD 2015-12-23 CN disclosed