SCHEMBL29187248

SCHEMBL29187248

Oc1nc2ccccc2nc1C(O)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 1/20 0.36
▸ MAPT P10636 6/20 0.36
▸ ALDH1A1 P00352 5/20 0.33
▸ NPSR1 Q6W5P4 4/20 0.33
▸ GAA P10253 4/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ NOX1 Q9Y5S8 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HPGD P15428 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
SCHEMBL18661294 0.78 MAPT (0.43) MAPTALDH1A1NPSR1GAAKMT2A
SCHEMBL19535302 0.76 MAPT (0.42) MAPTALDH1A1NPSR1GAAKMT2A
SCHEMBL13058525 0.72 MAPT (0.42) MAPTALDH1A1NPSR1GAAKMT2A
SCHEMBL11038905 0.70 MAPT (0.62) MAPTALDH1A1NPSR1GAAKMT2A
SCHEMBL29450004 0.70 MAPT (0.62) MAPTALDH1A1NPSR1GAAKMT2A
SCHEMBL382385 0.70 MAPT (0.62) MAPTALDH1A1NPSR1GAAKMT2A
SCHEMBL2131608 0.68 MAPT (0.53) MAPTALDH1A1NPSR1GAAKMT2A
SCHEMBL30829256 0.68 CFTR (0.36) MAPTALDH1A1NPSR1GAAKMT2A
SCHEMBL24924711 0.66 CYP1A2 (0.35) MAPTALDH1A1NPSR1GAAKMT2A
SCHEMBL2135839 0.65 GAA (0.43) MAPTALDH1A1NPSR1GAAKMT2A

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
CN-117702139-A Method for synthesizing electrocatalytic fluoroalkoxy aryl ether compound 西华师范大学 2024-03-15 — — CN disclosed
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