SCHEMBL24750331

SCHEMBL24750331

COc1ccc(Oc2ccc(CF)cc2)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 1/20 0.56
THRB P10828 1/20 0.56
KMT2A Q03164 1/20 0.56
GAA P10253 1/20 0.54
CYP3A4 P08684 3/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
CACNA1C Q13936 1/20 0.41
NR4A1 P22736 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL31694904 1.00 ALDH1A1 (0.56) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL15938210 0.84 ALDH1A1 (0.76) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL24751492 0.81 ALDH1A1 (0.61) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL3045451 0.80 ALDH1A1 (0.63) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL24750241 0.78 ALDH1A1 (0.61) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL24750329 0.78 ALDH1A1 (0.61) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL24749630 0.77 L3MBTL1 (0.68) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL30768368 0.77 L3MBTL1 (0.68) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL30768426 0.77 ALDH1A1 (0.56) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL24749525 0.77 ALDH1A1 (0.56) ALDH1A1MAPTMEN1THRBKMT2A

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