SCHEMBL31570534

SCHEMBL31570534

Nc1ccc(C2CNC(=O)C2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
GALR3 O60755 1/20 0.48
THRB P10828 1/20 0.48
PDE4A P27815 10/20 0.48
PDE4B Q07343 6/20 0.48
PDE4C Q08493 6/20 0.48
PDE4D Q08499 6/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP3A4 P08684 3/20 0.45
MEN1 O00255 2/20 0.45
ALOX15 P16050 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 3/20 0.43
PKM P14618 1/20 0.42
GAA P10253 1/20 0.41
VEGFA P15692 1/20 0.41

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
SCHEMBL560675 0.83 ALDH1A1 (0.48) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL31570575 0.83 PDE4A (0.48) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL31570521 0.81 PDE4A (0.56) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL844679 0.79 MAPT (0.56) MAPTGALR3THRBALDH1A1CYP1A2
SCHEMBL9913544 0.76 MAPT (0.53) MAPTGALR3THRBALDH1A1TDP1
SCHEMBL2551921 0.76 TDP1 (0.53) MAPTALDH1A1TDP1KMT2ACYP3A4
SCHEMBL2654454 0.75 TDP1 (0.51) MAPTALDH1A1TDP1KMT2ACYP3A4
SCHEMBL9106616 0.75 MAPT (0.51) MAPTGALR3THRBALDH1A1CYP1A2
SCHEMBL15157040 0.74 MAPT (0.50) MAPTGALR3THRBALDH1A1CYP1A2
SCHEMBL559921 0.74 PDE4A (0.52) MAPTPDE4APDE4BPDE4CPDE4D

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-2025099451-A1 NEW COMPOUNDS AND METHODS Transition Bio Limited (GB) 2025-05-15 WO disclosed