SCHEMBL31389674

SCHEMBL31389674

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CC(n2ccnc2C(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ENPP2 Q13822 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
FAAH O00519 2/20 0.35
MGLL Q99685 2/20 0.35
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
EPHX2 P34913 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
SCHEMBL31389786 0.84 POLB (0.43) POLBCYP1A2CYP2D6MAPTGAA
SCHEMBL31389983 0.82 POLB (0.41) POLBRAB9ACYP1A2CYP2D6ENPP2
Bicarbonate SCHEMBL31389668 0.80 POLB (0.40) POLBRAB9ACYP1A2CYP2D6MAPT
SCHEMBL31389505 0.80 POLB (0.41) POLBRAB9ACYP1A2CYP2D6ENPP2
SCHEMBL31389445 0.80 POLB (0.44) POLBMAPTGAA
SCHEMBL31389710 0.80 POLB (0.36) POLBRAB9ACYP1A2CYP2D6ENPP2
SCHEMBL31389396 0.78 POLB (0.38) POLBRAB9ACYP1A2CYP2D6ENPP2
SCHEMBL31389418 0.78 MAPT (0.37) POLBRAB9ACYP1A2CYP2D6MAPT
SCHEMBL31389683 0.78 MAPT (0.37) POLBRAB9ACYP1A2CYP2D6MAPT
SCHEMBL31389778 0.76 PTPN2 (0.38) POLBRAB9ACYP1A2CYP2D6ENPP2

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