SCHEMBL31389445

SCHEMBL31389445

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CC(n2c(C(F)(F)F)nc3cccnc32)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HTR3A P46098 3/20 0.35
TRPV1 Q8NER1 1/20 0.34
GCK P35557 1/20 0.34
CTSD P07339 1/20 0.33
TDP2 O95551 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL31389710 0.86 POLB (0.36) POLBMAPTKDM4EALDH1A1GAA
SCHEMBL31389418 0.82 MAPT (0.37) POLBMAPTKDM4EALDH1A1GAA
SCHEMBL31389683 0.82 MAPT (0.37) POLBMAPTKDM4EALDH1A1GAA
SCHEMBL31389674 0.80 POLB (0.41) POLBMAPTGAA
SCHEMBL31389396 0.79 POLB (0.38) POLBKDM4EALDH1A1GAA
SCHEMBL31389505 0.74 POLB (0.41) POLBMAPTGAA
SCHEMBL31389983 0.72 POLB (0.41) POLBMAPTALDH1A1GAA
SCHEMBL31389485 0.72 POLB (0.58) POLBTP53MAPTALDH1A1
SCHEMBL31389778 0.71 PTPN2 (0.38) POLBMAPTALDH1A1GAA
SCHEMBL21498615 0.70 POLB (0.69) POLBGAAHTR3A

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