SCHEMBL30860946

SCHEMBL30860946

COCCS(=O)(=O)n1ncc2c([N+](=O)[O-])cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
VCAM1 P19320 1/20 0.36
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MITF O75030 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TXNRD1 Q16881 2/20 0.34
PKM P14618 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL27227891 1.00 DCTPP1 (0.37) DCTPP1TDP1VCAM1NOS1ALDH1A1
SCHEMBL27227809 0.85 PKM (0.43) TDP1NOS1ALDH1A1GAALMNA
SCHEMBL27227908 0.80 DDB1 (0.34)
SCHEMBL27227871 0.79 TDP1 (0.44) TDP1NOS1ALDH1A1GAALMNA
SCHEMBL30860978 0.79 TDP1 (0.44) TDP1NOS1ALDH1A1GAALMNA
SCHEMBL30860975 0.79 TDP1 (0.41) DCTPP1TDP1NOS1ALDH1A1GAA
SCHEMBL14910632 0.79 TDP1 (0.41) DCTPP1TDP1NOS1ALDH1A1GAA
SCHEMBL27228485 0.76 TDP1 (0.41) TDP1NOS1ALDH1A1GAALMNA
SCHEMBL27227986 0.74 TDP1 (0.41) TDP1NOS1ALDH1A1GAALMNA
SCHEMBL27227877 0.73 TDP1 (0.40) TDP1NOS1ALDH1A1GAALMNA

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-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed