SCHEMBL216783

SCHEMBL216783

O=C(COc1ccccc1)NO

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
ALPL P05186 1/20 0.65
ALPI P09923 1/20 0.65
ALPG P10696 1/20 0.65
ALOX15 P16050 1/20 0.63
HPGD P15428 1/20 0.62
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
GAA P10253 1/20 0.61
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL10903296 0.85 KMT2A (0.67) KMT2AMEN1ALPLALPIALPG
SCHEMBL404889 0.84 KMT2A (0.54) KMT2AMEN1HDAC1HDAC2GAA
SCHEMBL27997601 0.84 KMT2A (0.54) KMT2AMEN1HDAC1HDAC2GAA
SCHEMBL2858346 0.82 PKM (0.63) KMT2AMEN1ALPLALPIALPG
SCHEMBL11058212 0.82 KMT2A (0.62) KMT2AMEN1ALPLALPIALPG
SCHEMBL8290704 0.82 ALDH1A1 (0.61) KMT2AMEN1ALPL
SCHEMBL3623600 0.82 KMT2A (0.62) KMT2AMEN1ALPLALPIALPG
SCHEMBL14336397 0.82 GAA (0.64) KMT2AMEN1ALPLALPIALPG
SCHEMBL1272486 0.82 ALDH1A1 (0.73) KMT2AMEN1ALPLALPIALPG
SCHEMBL5487993 0.81 NR4A2 (0.58) KMT2AMEN1NPC1RAB9A

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115707691-A Phenoxymethyl-1,4,2-dioxazole-5-ketone and preparation method thereof 张家港市国泰华荣化工新材料有限公司 2023-02-21 CN claimed
EP-0575556-A4 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION. HAWAII BIOTECH GROUP (US) 1994-03-21 EP claimed
EP-0575556-A1 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION HAWAII BIOTECHNOLOGY GROUP, INC. (US) 1993-12-29 EP claimed
WO-1992016203-A1 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION HAWAII BIOTECHNOLOGY GROUP, INC. (US) 1992-10-01 WO claimed
CN-115160097-B Method for synthesizing amide by reducing N-O bond by thioacetic acid 温州大学 2024-05-28 CN disclosed
CN-115707691-A Phenoxymethyl-1,4,2-dioxazole-5-ketone and preparation method thereof 张家港市国泰华荣化工新材料有限公司 2023-02-21 CN disclosed
CN-115707691-A Phenoxymethyl-1,4,2-dioxazole-5-ketone and preparation method thereof 张家港市国泰华荣化工新材料有限公司 2023-02-21 CN disclosed
CN-115160097-A Method for reducing N-O bonding into amide by thioacetic acid 温州大学 2022-10-11 CN disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 US disclosed
US-8728470-B2 CAB molecules DANISCO US INC. (US) 2014-05-20 US disclosed
WO-1997002349-A1 PHENYLACETYL-CoA LIGASE FROM PENICILLIUM CHRYSOGENUM SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed
EP-0302473-B1 Antibody-enzyme conjugates in combination with prodrugs for the delivery of cytotoxic agents to tumor cells BRISTOL MYERS SQUIBB CO (US) 1995-02-15 EP disclosed
EP-0575556-A4 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION. HAWAII BIOTECH GROUP (US) 1994-03-21 EP disclosed
EP-0575556-A1 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION HAWAII BIOTECHNOLOGY GROUP, INC. (US) 1993-12-29 EP disclosed
EP-0540859-A1 Anthracycline prodrugs Bristol-Myers Squibb Company (US) 1993-05-12 EP disclosed
WO-1992016203-A1 PALYTOXIN-RELATED PRODRUGS AND A METHOD FOR THEIR ADMINISTRATION HAWAII BIOTECHNOLOGY GROUP, INC. (US) 1992-10-01 WO disclosed
US-4975278-A Converting the prodrug at the tumor site to the active drug by means of the conjugate bound to a tumor surface antigen BRISTOL-MYERS COMPANY (US) 1990-12-04 US disclosed
EP-0302473-A2 Antibody-enzyme conjugates in combination with prodrugs for the delivery of cytotoxic agents to tumor cells Bristol-Myers Squibb Company (US) 1989-02-08 EP disclosed