SCHEMBL20123233

SCHEMBL20123233

C/C(=C\C1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)NCCCCCCNC(=O)CCCCC1CC(NC(N)=O)CS1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 4/20 0.49
▸ ACHE P22303 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ CDC25A P30304 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13049470 0.76 TDP1 (0.55) APEX1CDC25ACDC25BTDP1
SCHEMBL13079426 0.76 TDP1 (0.55) APEX1CDC25ACDC25BTDP1
SCHEMBL13049463 0.73 APEX1 (0.49) APEX1TDP1
SCHEMBL20123268 0.70 BCHE (0.36) ACHEBCHE
SCHEMBL13049441 0.69 APEX1 (1.00) APEX1CDC25ACDC25B
SCHEMBL3802683 0.67 APEX1 (0.60) APEX1CDC25ACDC25B
SCHEMBL13326329 0.66 KMT2A (0.30) —
SCHEMBL15985021 0.66 EPHX1 (0.38) TDP1
SCHEMBL5569598 0.63 TDP1 (0.42) APEX1ACHETDP1
SCHEMBL13894616 0.62 APEX1 (0.84) APEX1CDC25ACDC25B

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
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 — — EP disclosed
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