SCHEMBL22965725

SCHEMBL22965725

NNc1cc(F)cc(Br)c1N

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA3 P07451 1/20 0.31

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
SCHEMBL25573050 0.80 GAA (0.41) GAAMAPTKMT2ACA1CA2
SCHEMBL29866474 0.80 GAA (0.41) GAAMAPTKMT2ACA1CA2
SCHEMBL1192854 0.78 MAPT (0.58) GAAMAPTKMT2ACA1CA2
SCHEMBL22965739 0.74 GAA (0.37) GAAMAPTCA1CA2CA9
SCHEMBL17176604 0.72 GAA (0.55) GAAMAPTKMT2ACA1CA2
SCHEMBL418340 0.72 MAPT (0.43) GAAMAPTKMT2ACA1CA2
SCHEMBL78688 0.72 CA1 (0.54) GAAMAPTKMT2ACA1CA2
SCHEMBL9391171 0.72 MAPT (0.43) GAAMAPTKMT2ACA1CA2
SCHEMBL29674966 0.72 MAPT (0.43) GAAMAPTKMT2ACA1CA2
SCHEMBL31130306 0.71 MAPT (0.41) GAAMAPTKMT2ACA1CA2

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-2021026375-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF PAIN ALKERMES, INC. (US) 2021-02-11 WO disclosed