SCHEMBL31520802

SCHEMBL31520802

CC(C)(C)Cn1c(=O)[nH]c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50
▸ CYP1A2 P05177 1/20 0.46
▸ GRIA1 P42261 1/20 0.44
▸ GRIA2 P42262 1/20 0.44
▸ GRIA3 P42263 1/20 0.44
▸ GRIA4 P48058 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MPI P34949 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ PGR P06401 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ PARP1 P09874 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL30349795 0.85 CYP1A2 (0.60) SIRT2SIRT1CYP1A2GRIA1GRIA2
SCHEMBL28414336 0.82 SIRT2 (0.49) SIRT2SIRT1CYP1A2GRIA1GRIA2
SCHEMBL29203248 0.79 SIRT2 (0.48) SIRT2SIRT1CYP1A2GRIA1GRIA2
SCHEMBL9725457 0.79 SIRT2 (0.51) SIRT2SIRT1CYP1A2GRIA1GRIA2
SCHEMBL10139260 0.79 SIRT2 (0.51) SIRT2SIRT1CYP1A2GRIA1GRIA2
SCHEMBL29203245 0.79 SIRT2 (0.48) SIRT2SIRT1CYP1A2GRIA1GRIA2
SCHEMBL30881349 0.79 SIRT2 (0.48) SIRT2SIRT1CYP1A2GRIA1GRIA2
SCHEMBL20569799 0.78 SIRT2 (0.47) SIRT2SIRT1CYP1A2GRIA1GRIA2
Hydrochloric Acid SCHEMBL9725396 0.78 SIRT2 (0.53) SIRT2SIRT1CYP1A2GRIA1GRIA2
SCHEMBL24993891 0.77 SIRT2 (0.52) SIRT2SIRT1CYP1A2GRIA1GRIA2

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-2025096771-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 — — WO disclosed
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