SCHEMBL31389396

SCHEMBL31389396

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CC(n2c(C(F)(F)F)nc3c2CCCC3)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
THRB P10828 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 2/20 0.33
HTR2A P28223 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.32
GAA P10253 2/20 0.32
PGR P06401 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ENPP2 Q13822 1/20 0.32

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
SCHEMBL31389683 0.79 MAPT (0.37) POLBCYP1A2CYP2D6ALDH1A1RAB9A
SCHEMBL31389445 0.79 POLB (0.44) POLBALDH1A1GAAKDM4E
SCHEMBL31389418 0.79 MAPT (0.37) POLBCYP1A2CYP2D6ALDH1A1RAB9A
SCHEMBL31389710 0.79 POLB (0.36) POLBCYP1A2CYP2D6ALDH1A1RAB9A
SCHEMBL31389674 0.78 POLB (0.41) POLBCYP1A2CYP2D6HTR2AKMT2A
SCHEMBL31389983 0.74 POLB (0.41) POLBCYP1A2CYP2D6ALDH1A1RAB9A
SCHEMBL31389505 0.74 POLB (0.41) POLBCYP1A2CYP2D6HTR2AKMT2A
Bicarbonate SCHEMBL31389668 0.72 POLB (0.40) POLBCYP1A2CYP2D6ALDH1A1RAB9A
SCHEMBL31389430 0.72 CYP1A2 (0.43) POLBCYP1A2CYP2D6ALDH1A1MEN1
SCHEMBL21498615 0.72 POLB (0.69) POLBCYP1A2CYP2D6GAA

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