SCHEMBL30879548

SCHEMBL30879548

COC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.62
TP53 P04637 1/20 0.54
IDO1 P14902 2/20 0.53
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HIF1A Q16665 3/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46

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
SCHEMBL5780021 1.00 SLC9A1 (0.62) SLC9A1TP53IDO1MAPTMEN1
SCHEMBL30879550 1.00 SLC9A1 (0.62) SLC9A1TP53IDO1MAPTMEN1
SCHEMBL21200226 0.91 SLC9A1 (0.54) SLC9A1TP53IDO1MAPTMEN1
SCHEMBL29867155 0.91 SLC9A1 (0.54) SLC9A1TP53IDO1MAPTMEN1
SCHEMBL29867619 0.86 SLC9A1 (0.58) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL28741885 0.86 SLC9A1 (0.58) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL28741883 0.86 SLC9A1 (0.58) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL5775091 0.83 SLC9A1 (0.67) SLC9A1TP53MAPTMEN1KMT2A
SCHEMBL15248884 0.83 IDO1 (0.54) TP53IDO1MAPTMEN1KMT2A
SCHEMBL13043598 0.83 IDO1 (0.54) TP53IDO1MAPTMEN1KMT2A

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-2024118607-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION, INC. (US) 2024-06-06 WO disclosed