SCHEMBL28915281

SCHEMBL28915281

O=C(NC(CCCCNC(=O)C(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.51
▸ KMT2A Q03164 1/20 0.46
▸ TLR2 O60603 4/20 0.46
▸ MDM2 Q00987 6/20 0.45
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL28915280 1.00 TGM2 (0.51) TGM2KMT2ATLR2MDM2MDM4
SCHEMBL25357181 0.87 TGM2 (0.51) TGM2KMT2ATLR2MDM2MDM4
SCHEMBL25357185 0.87 TGM2 (0.51) TGM2KMT2ATLR2MDM2MDM4
SCHEMBL25357858 0.87 TGM2 (0.51) TGM2KMT2ATLR2MDM2MDM4
SCHEMBL25358031 0.86 KMT2A (0.51) TGM2KMT2ATLR2MDM2MDM4
SCHEMBL12684664 0.86 TGM2 (0.64) TGM2KMT2A
SCHEMBL25358036 0.86 KMT2A (0.51) TGM2KMT2ATLR2MDM2MDM4
SCHEMBL28582661 0.84 TGM2 (0.68) TGM2
SCHEMBL28582662 0.84 TGM2 (0.68) TGM2
SCHEMBL14360967 0.84 KMT2A (0.45) TGM2KMT2ATLR2MDM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979491-B Compound containing hydrogen peroxide/cathepsin L-responsive protective group and application thereof 中国药科大学 2022-04-15 — — CN disclosed
CN-112979491-A Compound containing hydrogen peroxide/cathepsin L-responsive protective group and application thereof 中国药科大学 2021-06-18 — — CN disclosed
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