SCHEMBL9637847

SCHEMBL9637847

NCc1cc(N)cc(CN)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.34
NOS2 P35228 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
NQO1 P15559 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
NOS3 P29474 1/20 0.30

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
SCHEMBL29250917 0.78 HSP90AA1 (0.41) LOXL2ALDH1A1
SCHEMBL5555345 0.77 LOXL2 (0.39) LOXL2
SCHEMBL7274937 0.74 NOS2 (0.54) KCNH2NOS2ALDH1A1TSHRNOS3
SCHEMBL2015524 0.74 GRIN2D (0.44) KCNH2ALDH1A1TSHRASIC3
SCHEMBL521804 0.74 NOS2 (0.48) NOS2NOS3
SCHEMBL2014831 0.74 SMN1; SMN2 (0.39) KCNH2ALDH1A1TSHRASIC3TP53
SCHEMBL522843 0.69 ALDH1A1 (0.46) LOXL2NOS2ALDH1A1CYP3A4NOS3
SCHEMBL13921937 0.69 F11 (0.41) LOXL2ALDH1A1
SCHEMBL20313918 0.69 NOS2 (0.59) KCNH2NOS2ALDH1A1TSHRNOS3
SCHEMBL522980 0.69 TERT (0.37) LOXL2NOS2ALDH1A1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5094759-A Method of water treatment using 2,6-substituted aminopyridines and polymer derived therefrom THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 1992-03-10 US disclosed
US-5026802-A Polymers derived from 2,6-substituted-4-amino-pyridines THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 1991-06-25 US disclosed