SCHEMBL9686513

SCHEMBL9686513

Cc1coc(Cc2ccnc(N)c2N)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.41
NOS3 P29474 5/20 0.41
NOS1 P29475 2/20 0.33
TLR8 Q9NR97 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL9686545 0.75 MAPT (0.49) NOS2NOS3NOS1TLR8MEN1
SCHEMBL9387184 0.74 GAA (0.40) NOS2NOS3KDM4EMEN1KMT2A
SCHEMBL4986132 0.74 NOS2 (0.42) NOS2NOS3NOS1TLR8
SCHEMBL9687039 0.73 NOS2 (0.44) NOS2NOS3NOS1
SCHEMBL9536189 0.72 NOS2 (0.47) NOS2NOS3NOS1
SCHEMBL9687045 0.72 NOS2 (0.39) NOS2NOS3NOS1TLR8
SCHEMBL22068695 0.72 NOS2 (0.47) NOS2NOS3NOS1KDM4EMEN1
SCHEMBL9687757 0.72 NOS2 (0.47) NOS2NOS3NOS1
SCHEMBL25256924 0.70 NOS2 (0.41) NOS2NOS3NOS1
SCHEMBL9686463 0.70 NOS3 (0.37) NOS2NOS3TLR8

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
EP-0295742-B1 NOVEL N-(4-PIPERIDINYL) BICYCLIC CONDENSED 2-IMIDAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-26 EP disclosed