SCHEMBL8545741

SCHEMBL8545741

NC(=O)N(Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(CN(OCc4ccccc4)C(N)=O)cc3)c2)cc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 3/20 0.47
ROCK2 O75116 3/20 0.47
LMNA P02545 1/20 0.47
NR1H4 Q96RI1 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 1/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
ESR2 Q92731 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL8543702 0.83 ACHE (0.49) SMN1; SMN2KMT2AMEN1HTTTDP1
SCHEMBL5320045 0.81 PARP10 (0.44) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL8550259 0.78 PLA2G10 (0.49) NPC1RAB9ALMNA
SCHEMBL8546973 0.77 MEN1 (0.53) KMT2AMEN1ROCK2NR1H4CYP3A4
SCHEMBL8545520 0.77 PPIB (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8545528 0.76 NR3C1 (0.48)
SCHEMBL8547009 0.76 NR3C1 (0.48)
SCHEMBL8546496 0.76 NR3C1 (0.47) KDM4E
SCHEMBL8549653 0.73 LPAR1 (0.46)
SCHEMBL15876355 0.73 ROCK2 (0.72) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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