SCHEMBL28044689

SCHEMBL28044689

CNNC(=O)c1cccc(-c2ccccc2)c1C(=O)NNC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.46
CHRNB4 P30926 3/20 0.46
CHRNA3 P32297 3/20 0.46
CHRNA4 P43681 3/20 0.46
HNF4A P41235 1/20 0.45
KAT6A Q92794 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
BCAT2 O15382 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
HTT P42858 3/20 0.41

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
SCHEMBL27577620 0.86 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL29854234 0.79 HNF4A (0.50) CHRNB2CHRNB4CHRNA3CHRNA4HNF4A
SCHEMBL30071869 0.77 MAPT (0.50) CHRNB2CHRNB4CHRNA3CHRNA4HNF4A
SCHEMBL998757 0.77 MAPT (0.50) CHRNB2CHRNB4CHRNA3CHRNA4HNF4A
SCHEMBL12825820 0.76 BCAT2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4HNF4A
Bromide SCHEMBL27949848 0.75 MAPT (0.49) CHRNB2CHRNB4CHRNA3CHRNA4HNF4A
Biphenyl SCHEMBL27975765 0.75 MAPT (0.49) CHRNB2CHRNB4CHRNA3CHRNA4HNF4A
SCHEMBL7016554 0.75 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL10029663 0.72 HNF4A (0.52) CHRNB2CHRNB4CHRNA3CHRNA4HNF4A
SCHEMBL3223294 0.72 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1

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-102603688-B Electroluminescent device CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2015-11-25 CN disclosed