SCHEMBL8543702

SCHEMBL8543702

NC(=O)N(Cc1ccc(C(=O)c2cccc(C(=O)c3ccc(CN(OCc4ccccc4)C(N)=O)cc3)c2)cc1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.49
BCHE P06276 3/20 0.49
SRD5A2 P31213 2/20 0.49
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PBRM1 Q86U86 1/20 0.41

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
SCHEMBL8545844 0.88 MEN1 (0.55) ACHEBCHEATMKMT2AMEN1
SCHEMBL5320045 0.85 PARP10 (0.44) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL8545741 0.83 NPC1 (0.50) TDP1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL8550259 0.82 PLA2G10 (0.49) L3MBTL1ALDH1A1
SCHEMBL8545520 0.81 PPIB (0.51) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL8547009 0.80 NR3C1 (0.48) SRD5A2L3MBTL1
SCHEMBL8545528 0.80 NR3C1 (0.48) SRD5A2L3MBTL1
SCHEMBL8546496 0.80 NR3C1 (0.47) ALDH1A1
SCHEMBL8549653 0.76 LPAR1 (0.46) L3MBTL1
SCHEMBL8550313 0.76 MEN1 (0.49) L3MBTL1KMT2AMEN1HTTSMN1; SMN2

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
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed