SCHEMBL31389666

SCHEMBL31389666

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
RAB9A P51151 1/20 0.42
FAAH O00519 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
HTR1A P08908 1/20 0.37
KIF11 P52732 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 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
SCHEMBL31389990 0.85 ACHE (0.44) FAAHGAAMAPTPOLBBCL9
SCHEMBL25266732 0.84 POLB (0.55) ENPP2RAB9AGAAMAPTPOLB
SCHEMBL25212614 0.84 POLB (0.55) ENPP2RAB9AGAAMAPTPOLB
SCHEMBL31389980 0.80 ENPP2 (0.40) ENPP2GAAMAPTKMT2A
SCHEMBL31389984 0.80 ENPP2 (0.40) ENPP2GAAMAPTKMT2A
SCHEMBL31389778 0.78 PTPN2 (0.38) ENPP2RAB9AFAAHGAAMAPT
SCHEMBL12654126 0.78 POLB (0.48) GAAMAPTPOLBBCL9CTNNB1
SCHEMBL30685930 0.78 GAA (0.48) GAAMAPTPOLBBCL9CTNNB1
SCHEMBL12653859 0.78 POLB (0.48) GAAMAPTPOLBBCL9CTNNB1
SCHEMBL29716145 0.78 GAA (0.48) GAAMAPTPOLBBCL9CTNNB1

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed