SCHEMBL31389418

SCHEMBL31389418

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CC(n2c(C(F)(F)F)nc3ccncc32)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.33
FPR2 P25090 1/20 0.33
FAAH O00519 2/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
GAA P10253 3/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
P2RX7 Q99572 1/20 0.32
NLRP3 Q96P20 1/20 0.32
SCN4A P35499 1/20 0.32
MGLL Q99685 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL31389683 0.93 MAPT (0.37) MAPTPOLBALDH1A1FPR2FAAH
SCHEMBL31389445 0.82 POLB (0.44) MAPTPOLBALDH1A1GAAKDM4E
SCHEMBL31389710 0.82 POLB (0.36) MAPTPOLBALDH1A1FPR2FAAH
SCHEMBL31389396 0.79 POLB (0.38) POLBALDH1A1RAB9ACYP1A2CYP2D6
SCHEMBL31389717 0.79 FPR2 (0.37) MAPTPOLBFPR2
SCHEMBL31389674 0.78 POLB (0.41) MAPTPOLBFAAHRAB9ACYP1A2
SCHEMBL31389983 0.76 POLB (0.41) MAPTPOLBALDH1A1FAAHRAB9A
Bicarbonate SCHEMBL31389668 0.74 POLB (0.40) MAPTPOLBALDH1A1FAAHRAB9A
SCHEMBL31389505 0.74 POLB (0.41) MAPTPOLBFAAHRAB9ACYP1A2
SCHEMBL31389471 0.72 CYP11B2 (0.36) POLBFPR2

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