Metofurone

Metofurone

SCHEMBL7733994

CCC(Cl)C(=O)Cl.O=C(Cl)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
HTT P42858 2/20 0.47
STING1 Q86WV6 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MITF O75030 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
Metofurone SCHEMBL687311 0.84 RAB9A (0.54) LMNAHTTALDH1A1MITFNPC1
SCHEMBL11455980 0.75 LMNA (0.56) LMNAHTTSTING1ALDH1A1CYP1A2
SCHEMBL6734715 0.74 MAPT (0.60) LMNAHTTALDH1A1CYP1A2CYP2C19
SCHEMBL11407927 0.70 LMNA (0.56) LMNAHTTALDH1A1MITFNPC1
SCHEMBL13101048 0.70 LMNA (0.51) LMNAHTTALDH1A1MITFNPC1
Nifurmerone SCHEMBL398798 0.70 LMNA (0.51) LMNAHTTSTING1ALDH1A1MITF
SCHEMBL13753324 0.70 LMNA (0.71) LMNAHTTSTING1ALDH1A1MITF
SCHEMBL1167414 0.70 ALDH1A1 (0.64) LMNAHTTALDH1A1CYP1A2CYP2C19
5-Nitro-2-Furoic Acid SCHEMBL1221377 0.69 LMNA (0.58) LMNAHTTALDH1A1MITFNPC1
SCHEMBL11458185 0.69 LMNA (0.54) LMNAHTTSTING1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015479-A4 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-1015479-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
EP-0880558-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1998-12-02 EP disclosed
WO-1998046631-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1997026300-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED INDANE LIBRARIES ELI LILLY AND COMPANY (US) 1997-07-24 WO disclosed