SCHEMBL6898698

SCHEMBL6898698

O=Cc1cccc(I)c1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ERN1 O75460 6/20 0.43
TRIM24 O15164 3/20 0.41
TRIM33 Q9UPN9 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CYP2A6 P11509 2/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL29661859 1.00 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL97071 0.81
SCHEMBL29661768 0.81
SCHEMBL14876837 0.80 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL5153352 0.78 MEN1 (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL11814521 0.78 CDK4 (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL29518095 0.77 TDP1 (0.39) LMNAKMT2AMEN1THRBBLM
SCHEMBL10497958 0.77 TDP1 (0.39) LMNAKMT2AMEN1THRBBLM
SCHEMBL1222558 0.76 ERN1 (0.47) LMNAKMT2AMEN1THRBBLM
SCHEMBL10290095 0.76 TDP1 (0.46) LMNAKMT2AMEN1THRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP claimed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO claimed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
WO-2022070992-A1 METHOD FOR PRODUCING FLUORINATED AROMATIC ALDEHYDE 東レ株式会社 2022-04-07 WO disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
EP-2424573-B1 LABELED MOLECULAR IMAGING AGENTS, METHODS OF MAKING AND METHODS OF USE GEN ELECTRIC (US) 2019-01-16 EP disclosed
CN-104774199-B 2‑(2 benzyl hydrazono-s)‑5‑(1,2,4 triazole, 1 base)Thiazole and its preparation and application 湖南大学 2017-03-08 CN disclosed
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP disclosed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO disclosed
EP-0434765-A4 TARGETING SUBSTANCE-DIAGNOSTIC/THERAPEUTIC AGENT CONJUGATES HAVING SCHIFF BASE LINKAGES 1992-06-03 EP disclosed
EP-0434765-A1 TARGETING SUBSTANCE-DIAGNOSTIC/THERAPEUTIC AGENT CONJUGATES HAVING SCHIFF BASE LINKAGES. NEORX CORP (US) 1991-07-03 EP disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed
US-4360511-A Amines useful as brain imaging agents MEDI-PHYSICS, INC. (US) 1982-11-23 US disclosed
EP-0011858-A1 Radioiodine containing amines, their preparation and their use as brain imaging agents F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-06-11 EP disclosed
US-4062961-A SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES SMITHKLINE CORPORATION (US) 1977-12-13 US disclosed
US-3988339-A 7 OR 8-SUBSTITUTED 1,2,3,4-TETRAHYDRO-ISOQUINOLINE SMITHKLINE CORPORATION (US) 1976-10-26 US disclosed
US-3939164-A PHENYLETHANOLAMINE N-METHYL TRANSFERASE INHIBITORS SMITHKLINE CORPORATION (US) 1976-02-17 US disclosed