SCHEMBL31363391

SCHEMBL31363391

COc1ccc(CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TP53 P04637 4/20 0.49
EPHX2 P34913 1/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
STS P08842 2/20 0.48
MMP1 P03956 2/20 0.45
MMP9 P14780 2/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
BACE1 P56817 2/20 0.44
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP13 P45452 1/20 0.43
SSTR3 P32745 1/20 0.43
THRB P10828 1/20 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
SCHEMBL12321559 0.89 GPR119 (0.50) TP53LMNASTSGPR119
SCHEMBL16341485 0.89 GPR119 (0.50) TP53LMNASTSGPR119
SCHEMBL29795366 0.84 ALDH1A1 (0.63) ALDH1A1TP53EPHX2LMNAMAPT
SCHEMBL7381166 0.82 ALDH1A1 (0.69) ALDH1A1TP53EPHX2LMNAMAPT
SCHEMBL2308747 0.79 ALDH1A1 (0.55) ALDH1A1TP53EPHX2LMNAMAPT
SCHEMBL8310166 0.79 ALDH1A1 (0.65) ALDH1A1TP53EPHX2LMNAMAPT
SCHEMBL20794795 0.78 DNMT3A (0.46) TP53GPR119MEN1KMT2AMMP13
SCHEMBL20778648 0.78 DNMT3A (0.46) TP53GPR119MEN1KMT2AMMP13
SCHEMBL20766014 0.78 DNMT3A (0.46) TP53GPR119MEN1KMT2AMMP13
SCHEMBL29673228 0.78 DNMT3A (0.46) TP53GPR119MEN1KMT2AMMP13

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed