SCHEMBL29056918

SCHEMBL29056918

CCCC(=O)Nc1cccc(C(C(=O)O)C(=O)Nc2ncc([N+](=O)[O-])s2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.53
▸ MEN1 O00255 8/20 0.53
▸ KMT2A Q03164 8/20 0.53
▸ MAPT P10636 5/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ATG4B Q9Y4P1 3/20 0.46
▸ STAT3 P40763 2/20 0.45
▸ ALPL P05186 2/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ ALPI P09923 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ CASP8 Q14790 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL29056934 0.86 MEN1 (0.50) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL29057053 0.83 MEN1 (0.48) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL29056969 0.83 MEN1 (0.55) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL29057009 0.81 ATG4B (0.55) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL29057097 0.81 MEN1 (0.53) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL29056972 0.78 MEN1 (0.47) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL5836289 0.78 LMNA (0.85) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL29057073 0.77 MEN1 (0.56) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL29057019 0.77 LMNA (0.53) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL25063431 0.74 STAT3 (0.67) LMNAMEN1KMT2AMAPTALDH1A1

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
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 — — CN disclosed
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