SCHEMBL31389983

SCHEMBL31389983

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CC(n2cncc2C(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
P2RX7 Q99572 5/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FAAH O00519 1/20 0.35
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
Bicarbonate SCHEMBL31389668 0.98 POLB (0.40) POLBMAPTRAB9ACYP1A2CYP2D6
SCHEMBL31389688 0.85 POLB (0.58) POLBMAPTCYP2D6P2RX7ALDH1A1
SCHEMBL31389505 0.82 POLB (0.41) POLBMAPTRAB9ACYP1A2CYP2D6
SCHEMBL31389674 0.82 POLB (0.41) POLBMAPTRAB9ACYP1A2CYP2D6
SCHEMBL31389683 0.76 MAPT (0.37) POLBMAPTRAB9ACYP1A2CYP2D6
SCHEMBL31389418 0.76 MAPT (0.37) POLBMAPTRAB9ACYP1A2CYP2D6
SCHEMBL21498615 0.76 POLB (0.69) POLBCYP1A2CYP2D6GAA
SCHEMBL31389778 0.74 PTPN2 (0.38) POLBMAPTRAB9ACYP1A2CYP2D6
SCHEMBL12653859 0.73 POLB (0.48) POLBMAPTCYP1A2CYP2D6GAA
SCHEMBL12654126 0.73 POLB (0.48) POLBMAPTCYP1A2CYP2D6GAA

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