SCHEMBL31389778

SCHEMBL31389778

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CC(c2nccnc2C(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ENPP2 Q13822 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 1/20 0.34
FAAH O00519 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL31389666 0.78 ENPP2 (0.43) RAB9APOLBMAPTGAABCL9
SCHEMBL31389522 0.77 PTPN2 (0.36) PTPN2PTPN1POLBMAPTGAA
SCHEMBL31389984 0.77 ENPP2 (0.40) MAPTGAAALDH1A1SMN1; SMN2ENPP2
SCHEMBL31389980 0.77 ENPP2 (0.40) MAPTGAAALDH1A1SMN1; SMN2ENPP2
SCHEMBL31389674 0.76 POLB (0.41) PTPN2PTPN1RAB9APOLBMAPT
SCHEMBL31389505 0.76 POLB (0.41) RAB9APOLBMAPTGAABCL9
SCHEMBL12653859 0.74 POLB (0.48) PTPN2PTPN1POLBMAPTGAA
SCHEMBL12654126 0.74 POLB (0.48) PTPN2PTPN1POLBMAPTGAA
SCHEMBL30685930 0.74 GAA (0.48) PTPN2PTPN1POLBMAPTGAA
SCHEMBL29716145 0.74 GAA (0.48) PTPN2PTPN1POLBMAPTGAA

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