SCHEMBL14022580

SCHEMBL14022580

COc1cc(-c2nc3cccc(C)n3c2Nc2ccc(Cl)cc2)cc(F)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 14/20 0.56
▸ MAPT P10636 12/20 0.56
▸ TP53 P04637 9/20 0.56
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ TUBB4A P04350 2/20 0.55
▸ TUBB P07437 2/20 0.55
▸ TUBA3C P0DPH7 2/20 0.55
▸ TUBA1B P68363 2/20 0.55
▸ TUBA4A P68366 2/20 0.55
▸ TUBB4B P68371 2/20 0.55
▸ TUBB3 Q13509 2/20 0.55
▸ TUBB2A Q13885 2/20 0.55
▸ TUBB8 Q3ZCM7 2/20 0.55
▸ TUBA3E Q6PEY2 2/20 0.55
▸ TUBA1A Q71U36 2/20 0.55
▸ TUBA1C Q9BQE3 2/20 0.55
▸ TUBB6 Q9BUF5 2/20 0.55
▸ TUBB2B Q9BVA1 2/20 0.55
▸ TUBB1 Q9H4B7 2/20 0.55
▸ PKLR P30613 4/20 0.53

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
SCHEMBL14022548 0.92 GAA (0.55) GAAMAPTTP53SMN1; SMN2TUBB4A
SCHEMBL14022576 0.91 GAA (0.54) GAAMAPTTP53SMN1; SMN2TUBB4A
SCHEMBL14022627 0.89 TUBB4A (0.66) GAAMAPTTP53SMN1; SMN2TUBB4A
SCHEMBL14022545 0.86 MAPT (0.51) GAAMAPTTP53SMN1; SMN2TUBB4A
SCHEMBL14022640 0.85 MAPT (0.65) GAAMAPTTP53SMN1; SMN2TUBB4A
SCHEMBL2252820 0.84 GAA (0.69) GAAMAPTTP53SMN1; SMN2TUBB4A
SCHEMBL2250661 0.84 GAA (0.77) GAAMAPTTP53SMN1; SMN2TUBB4A
SCHEMBL14022620 0.84 TUBB4A (0.62) GAAMAPTTP53SMN1; SMN2TUBB4A
SCHEMBL14022630 0.82 GAA (0.76) GAAMAPTTP53SMN1; SMN2PKLR
SCHEMBL14022632 0.81 MAPT (0.58) GAAMAPTTP53SMN1; SMN2TUBB4A

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-2008141239-A1 IMIDAZOL [1,2-A] PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-11-20 — — WO disclosed
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