SCHEMBL30826679

SCHEMBL30826679

C[C@H](NC(=O)OC(C)(C)C)c1ccc(Nc2nc(-c3ccccc3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
PHGDH O43175 1/20 0.40
CTSK P43235 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
FLT4 P35916 2/20 0.39
AURKA O14965 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
PTPRB P23467 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PRMT1 Q99873 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 2/20 0.37

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
SCHEMBL31455002 0.86 PRMT1 (0.49) MAPTMEN1KMT2AABCG2AURKA
SCHEMBL27878078 0.86 PTPRB (0.40) MAPTABCG2GSTP1GSTM2AURKA
SCHEMBL30826628 0.85 MAPT (0.47) MAPTMEN1LMNAKMT2AGSTP1
SCHEMBL31455077 0.84 ABCG2 (0.41) MAPTMEN1KMT2AABCG2GSTP1
SCHEMBL17109515 0.82 BRD4 (0.49) MAPTMEN1KMT2AABCG2AURKA
SCHEMBL31420320 0.82 BRD4 (0.49) MAPTMEN1KMT2AABCG2AURKA
SCHEMBL31455363 0.81 GSK3B (0.43) MAPTMEN1KMT2AABCG2AURKA
SCHEMBL25385291 0.80 ABCG2 (0.41) MAPTMEN1KMT2AABCG2AURKA
SCHEMBL30574901 0.80 ABCG2 (0.41) MAPTMEN1KMT2AABCG2AURKA
SCHEMBL31420343 0.80 PRMT1 (0.41) MAPTMEN1KMT2AABCG2AURKA

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-2024064026-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-28 WO disclosed