SCHEMBL24749533

SCHEMBL24749533

COc1ccc(COc2ccc(F)c(F)c2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
MAOB P27338 6/20 0.48
MAOA P21397 3/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
CACNA1C Q13936 1/20 0.46
ACHE P22303 1/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43

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
Hydrochloric Acid SCHEMBL31697653 0.99 GAA (0.51) GAAMAOBMAOAMEN1ALDH1A1
SCHEMBL31694869 0.82 MAOB (0.61) GAAMAOBMAOA
Hydrochloric Acid SCHEMBL31694905 0.81 MAOB (0.59) GAAMAOBMAOAMEN1ALDH1A1
SCHEMBL30792435 0.80 MAOB (0.54) MAOBMAOAACHE
SCHEMBL31694822 0.79 ALDH1A1 (0.59) GAAMEN1ALDH1A1MAPTTHRB
SCHEMBL24751454 0.79 ALDH1A1 (0.59) GAAMEN1ALDH1A1MAPTTHRB
SCHEMBL31009425 0.78 MAPT (0.48) GAAMAOBMAOAMEN1ALDH1A1
SCHEMBL24750302 0.78 MAPT (0.48) GAAMAOBMAOAMEN1ALDH1A1
SCHEMBL5089249 0.77 MAOB (0.54) MAOBMAOAACHE
SCHEMBL14541925 0.77 MAOB (0.65) MAOBMAOAACHEANO1

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-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed