SCHEMBL27426994

SCHEMBL27426994

CC(=O)COc1cc2cc([N+](=O)[O-])ccc2n(C(C)C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GNRHR P30968 4/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ NOD2 Q9HC29 1/20 0.36

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
SCHEMBL21787570 0.88 MAPT (0.45) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL23268090 0.86 KMT2A (0.45) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL29874201 0.85 CYP19A1 (0.46) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL23250037 0.85 CYP19A1 (0.46) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL29873912 0.82 TDP1 (0.48) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL23250124 0.82 TDP1 (0.48) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL21787680 0.77 MEN1 (0.50) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL30414767 0.76 PTGDR2 (0.50) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL28548429 0.76 PTGDR2 (0.50) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL21774713 0.74 PTGS2 (0.46) MEN1KMT2ALMNASMN1; SMN2MAPT

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-2024086759-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-04-25 — — WO disclosed
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