SCHEMBL29547892

SCHEMBL29547892

FC(F)(F)Cn1c2ccncc2c2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 11/20 0.42
ROCK2 O75116 3/20 0.42
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
ACHE P22303 1/20 0.41
CYP2D6 P10635 1/20 0.36

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
SCHEMBL22907401 1.00 METAP2 (0.42) METAP2ROCK2MAOAMAOBACHE
SCHEMBL29547747 0.81 MAOA (0.62) METAP2ROCK2MAOAMAOBACHE
SCHEMBL22152176 0.80 MAOA (0.54) MAOAMAOBACHECYP2D6
SCHEMBL20128560 0.79 METAP2 (0.49) METAP2ROCK2
SCHEMBL20128580 0.78 METAP2 (0.48) METAP2
SCHEMBL22906784 0.77 METAP2 (0.47) METAP2ROCK2
SCHEMBL22906719 0.76 METAP2 (0.47) METAP2
SCHEMBL22906538 0.76 METAP2 (0.47) METAP2ROCK2
SCHEMBL20128570 0.76 METAP2 (0.47) METAP2ROCK2
SCHEMBL27098819 0.74 ROCK2 (0.39) METAP2ROCK2MAOAMAOBACHE

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-3999182-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2022-05-25 EP disclosed