SCHEMBL17952811

SCHEMBL17952811

c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2ccc(N3c4ccccc4Sc4ccccc43)nc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
BCHE P06276 6/20 0.39
ACHE P22303 2/20 0.37
NOX1 Q9Y5S8 1/20 0.37
KDM1A O60341 3/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CHRNA7 P36544 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL14550941 0.88 MAOA (0.34) MAOABCHEACHENOX1KDM1A
SCHEMBL21397037 0.83 FNTA (0.35) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL20968760 0.79 KCNJ1 (0.43) MAOABCHEACHENOX1KDM1A
SCHEMBL17641080 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2498937 0.78 SMN1; SMN2 (0.51) MAOABCHEACHENOX1KDM1A
SCHEMBL21397034 0.78 LMNA (0.36) ACHEKCNH2SMN1; SMN2ALDH1A1MEN1
SCHEMBL21397036 0.77 FNTA (0.36) HDAC6SMN1; SMN2ALDH1A1
SCHEMBL17952821 0.76 CHRNA7 (0.40) BCHECHRNA7KCNH2SMN1; SMN2ALDH1A1
SCHEMBL17952818 0.76 CHRNA7 (0.47) MAOAACHECHRNA7KCNH2SMN1; SMN2
SCHEMBL17952823 0.75 HPGD (0.40) CHRNA7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247771-B1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2020-06-10 EP disclosed
US-10544361-B2 Pyridines and derivatives thereof as components for use in optoelectronic components CYNORA GMBH (DE) 2020-01-28 US disclosed
WO-2016116517-A1 PYRIDINES AND DERIVATIVES THEREOF AS COMPONENTS FOR USE IN OPTOELECTRONIC COMPONENTS CYNORA GMBH (DE) 2016-07-28 WO disclosed