SCHEMBL6856791

SCHEMBL6856791

Bc1cnc(N)c(C=O)c1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL18801007 0.79 ATR (0.31) HTTKMT2ANOS3NOS1NOS2
SCHEMBL20124974 0.75 NOS3 (0.54) KMT2ANOS3NOS1NOS2
SCHEMBL30024828 0.75 KMT2A (0.54) HTTKMT2A
SCHEMBL29950768 0.75 ERN1 (0.39) HTTKMT2ANOS3NOS1NOS2
SCHEMBL124004 0.75 ERN1 (0.39) HTTKMT2ANOS3NOS1NOS2
SCHEMBL24609208 0.75 HTT (0.30) HTTKMT2ANOS3NOS1NOS2
SCHEMBL247814 0.75 ERN1 (0.39) HTTKMT2ANOS3NOS1NOS2
SCHEMBL127596 0.75 ERN1 (0.43) HTT
SCHEMBL124567 0.75 KMT2A (0.54) HTTKMT2A
SCHEMBL12515434 0.75 ERN1 (0.32)

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
WO-2011096461-A1 QUINOLINE DERIVATIVE 大正製薬株式会社 (JP) 2011-08-11 WO disclosed