SCHEMBL31389786

SCHEMBL31389786

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CC(n2ccnc2C2CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
EPHX2 P34913 1/20 0.36
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
ROCK2 O75116 1/20 0.35
ALDH1A1 P00352 1/20 0.34
FAAH O00519 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL31389674 0.84 POLB (0.41) POLBCYP1A2CYP2D6EPHX2MAPT
SCHEMBL31389594 0.78 POLB (0.44) POLBCYP1A2CYP2D6EPHX2MAPT
SCHEMBL21498615 0.78 POLB (0.69) POLBCYP1A2CYP2D6GAA
SCHEMBL20625250 0.74 GAA (0.51) POLBCYP1A2CYP2D6EPHX2MAPT
SCHEMBL12654126 0.73 POLB (0.48) POLBCYP1A2CYP2D6MAPTGAA
SCHEMBL12653859 0.73 POLB (0.48) POLBCYP1A2CYP2D6MAPTGAA
SCHEMBL30685930 0.73 GAA (0.48) POLBCYP1A2CYP2D6EPHX2MAPT
SCHEMBL29716145 0.73 GAA (0.48) POLBCYP1A2CYP2D6EPHX2MAPT
SCHEMBL31389983 0.73 POLB (0.41) POLBCYP1A2CYP2D6MAPTGAA
SCHEMBL2803614 0.72 CYP1A2 (0.49) POLBCYP1A2CYP2D6MAPTGAA

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