SCHEMBL22014607

SCHEMBL22014607

c1cnc(-c2cnns2)nc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
RUNX1 Q01196 2/20 0.39
CBFB Q13951 2/20 0.39
GFER P55789 1/20 0.39
HDAC1 Q13547 1/20 0.32
CYP2A6 P11509 1/20 0.32
CLK4 Q9HAZ1 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
SCHEMBL4753598 0.70 CNR2 (0.37) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL2660255 0.70 ALDH1A1 (0.43) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL22015413 0.66 HPGDS (0.37) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL22335464 0.65 MAPT (0.43) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL2348958 0.65
SCHEMBL21963676 0.64 HSP90AA1 (0.39) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL7610762 0.64 ALDH1A1 (0.34) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL3190275 0.63
SCHEMBL171853 0.62 HDAC8 (0.47) ALDH1A1MAPTHTTCYP2A6CLK4
SCHEMBL3694038 0.62 DYRK1A (0.42) MAPTCYP2A6

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-2020099407-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed