SCHEMBL31389710

SCHEMBL31389710

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CC(n2c(C(F)(F)F)nc3ncccc32)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
TDP2 O95551 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
ENPP2 Q13822 1/20 0.32
FPR2 P25090 1/20 0.32
FAAH O00519 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
SCHEMBL31389445 0.86 POLB (0.44) POLBMAPTTRPV1TDP2TDP1
SCHEMBL31389683 0.82 MAPT (0.37) POLBMAPTRAB9ACYP1A2CYP2D6
SCHEMBL31389418 0.82 MAPT (0.37) POLBMAPTRAB9ACYP1A2CYP2D6
SCHEMBL31389674 0.80 POLB (0.41) POLBMAPTRAB9ACYP1A2CYP2D6
SCHEMBL31389396 0.79 POLB (0.38) POLBRAB9ACYP1A2CYP2D6ALDH1A1
SCHEMBL31389505 0.74 POLB (0.41) POLBMAPTRAB9ACYP1A2CYP2D6
SCHEMBL31389983 0.72 POLB (0.41) POLBMAPTRAB9ACYP1A2CYP2D6
SCHEMBL31389550 0.72 POLB (0.37) POLBMAPT
SCHEMBL31389778 0.71 PTPN2 (0.38) POLBMAPTRAB9ACYP1A2CYP2D6
SCHEMBL31389430 0.70 CYP1A2 (0.43) POLBTDP1CYP1A2CYP2D6ALDH1A1

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