Sugi Predict

Sugi Predict / Compounds / SCHEMBL1689173

SCHEMBL1689173

SCHEMBL1689173

NC(=O)C(C(=O)N(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.55
▸ HDAC3 O15379 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL1689183 0.89 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2
SCHEMBL5126808 0.86 PTGS1 (0.56) HDAC1HDAC3HDAC2
SCHEMBL1689448 0.85 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2
SCHEMBL1689201 0.82 HDAC1 (0.57) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2107696 0.81 HDAC1 (0.78) HDAC1HDAC3HDAC2
SCHEMBL16892962 0.80 HDAC1 (0.63) HDAC1HDAC3HDAC2NCOR2
SCHEMBL5028860 0.79 PTGS1 (0.53) HDAC1HDAC3HDAC2NCOR2
SCHEMBL1689188 0.76 HDAC1 (0.70) HDAC1HDAC3HDAC2
SCHEMBL1753904 0.76 HDAC1 (0.76) HDAC1HDAC3HDAC2NCOR2
SCHEMBL5033416 0.75 HDAC1 (0.56) HDAC1HDAC3HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896395-A2 MODIFIED MALONATE DERIVATIVES Merck & Co., Inc. (US) 2008-03-12 — — EP claimed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 — — WO claimed
EP-1896395-A2 MODIFIED MALONATE DERIVATIVES Merck & Co., Inc. (US) 2008-03-12 — — EP disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 — — WO disclosed