SCHEMBL9123712

SCHEMBL9123712

COc1ccc(Cl)cc1C(=O)NCCOc1ccc(C=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ LMNA P02545 2/20 0.58
▸ MAPT P10636 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ HDAC1 Q13547 3/20 0.55
▸ HDAC6 Q9UBN7 3/20 0.55
▸ DNMT3A Q9Y6K1 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.53
▸ NLRP3 Q96P20 3/20 0.50

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
SCHEMBL11473390 0.84 DNMT3A (0.77) HDAC1HDAC6DNMT3ANLRP3
SCHEMBL9121700 0.82 KMT2A (0.55) KMT2AMEN1NPC1LMNAMAPT
SCHEMBL9121706 0.82 KMT2A (0.55) KMT2AMEN1NPC1LMNAMAPT
SCHEMBL9121723 0.82 KMT2A (0.54) KMT2AMEN1NPC1LMNAMAPT
SCHEMBL9122129 0.77 LMNA (0.74) LMNAHPGDHDAC1HDAC6DNMT3A
SCHEMBL6362093 0.77 LMNA (0.78) LMNAMAPTHDAC1HDAC6DNMT3A
SCHEMBL8458179 0.76 KMT2A (0.55) KMT2AMEN1NPC1LMNAMAPT
SCHEMBL446564 0.76 KMT2A (0.67) KMT2AMEN1NPC1LMNAMAPT
SCHEMBL4654636 0.75 DNMT3A (0.82) HDAC1HDAC6DNMT3ANLRP3
SCHEMBL9121310 0.75 KMT2A (0.53) KMT2AMEN1NPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5478851-A Hyperglycemic agent and antilipemic agent BEECHAM GROUP PLC (GB) 1995-12-26 — — US disclosed
EP-0555264-A1 NOVEL COMPOUNDS BEECHAM GROUP plc (GB) 1993-08-18 — — EP disclosed
WO-1992007850-A1 NOVEL COMPOUNDS BEECHAM GROUP PLC (GB) 1992-05-14 — — WO disclosed
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