SCHEMBL5328653

SCHEMBL5328653

CCCC(n1ccnc1)n1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 10/20 0.49
CYP19A1 P11511 6/20 0.41
TBXAS1 P24557 1/20 0.38
NFKB1 P19838 1/20 0.36
QPCT Q16769 1/20 0.36
HSD17B10 Q99714 1/20 0.36
QPCTL Q9NXS2 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
SCHEMBL27983187 0.88 CYP17A1 (0.51) CYP17A1CYP19A1TBXAS1
SCHEMBL459548 0.84 TBXAS1 (0.50) CYP17A1CYP19A1TBXAS1
SCHEMBL3421199 0.84 TBXAS1 (0.50) CYP17A1CYP19A1TBXAS1
SCHEMBL16163611 0.83 CYP17A1 (0.49) CYP17A1CYP19A1TBXAS1
SCHEMBL571582 0.81 CYP17A1 (0.47) CYP17A1CYP19A1
SCHEMBL19552044 0.81 CYP17A1 (0.47) CYP17A1CYP19A1TBXAS1
SCHEMBL17598731 0.81 CYP17A1 (0.47) CYP17A1CYP19A1
SCHEMBL27742029 0.81 CYP17A1 (0.47) CYP17A1CYP19A1
SCHEMBL27983186 0.80 CYP17A1 (0.46) CYP17A1CYP19A1TBXAS1
Iodide SCHEMBL13518969 0.79 CYP17A1 (0.46) CYP17A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101503530-B Chitosan / ion liquid conductive compound film and preparation thereof UNIV NORTHWEST NORMAL 2011-02-16 CN claimed
CN-101503530-A Chitosan / ion liquid conductive compound film and preparation thereof UNIV NORTHWEST NORMAL (CN) 2009-08-12 CN claimed
CN-119461584-A Multi-acid-base material, preparation method and application thereof, and electrode 中国石油化工股份有限公司 2025-02-18 CN disclosed
EP-3036224-A1 POLYMERS CONTAINING BENZIMIDAZOLE MOIETIES AS LEVELERS Rohm and Haas Electronic Materials LLC (US) 2016-06-29 EP disclosed
WO-2015074190-A1 POLYMERS CONTAINING BENZIMIDAZOLE MOIETIES AS LEVELERS ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2015-05-28 WO disclosed
CN-102924382-B Disalicylide-functional imidazole Gemini ionic liquid and preparation method thereof HUAIHAI INST TECHNOLOGY 2014-11-19 CN disclosed
CN-103965111-A Gemini quaternary ammonium salt containing salicylaldehyde Schiff base and preparation method thereof HUAIHAI INST TECHNOLOGY 2014-08-06 CN disclosed
CN-102250009-B Preparation method of pentaerythrityl tetramizole HARBIN INST OF TECHNOLOGY 2012-12-05 CN disclosed
CN-101503530-B Chitosan / ion liquid conductive compound film and preparation thereof UNIV NORTHWEST NORMAL 2011-02-16 CN disclosed
CN-101503530-A Chitosan / ion liquid conductive compound film and preparation thereof UNIV NORTHWEST NORMAL (CN) 2009-08-12 CN disclosed
WO-2007122340-A1 CATIONIC DICHROMOPHORIC COMPOUND CONTAINING TWO UNITS OF HYDRAZONE TYPE AND COMPRISING A CATIONIC LINKER ARM, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, METHOD FOR THE USE THEREOF AND USES L'ORÉAL (FR) 2007-11-01 WO disclosed
EP-1066282-A1 NOVEL CATIONIC DI-METHYLENEDIOXY-BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2001-01-10 EP disclosed
EP-1064268-A1 NOVEL CATIONIC COMPOUNDS, THEIR USE AS COUPLING AGENTS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2001-01-03 EP disclosed
WO-2000043389-A1 NOVEL CATIONIC DI-METHYLENEDIOXY-BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2000-07-27 WO disclosed
WO-1999048875-A1 NOVEL CATIONIC COMPOUNDS, THEIR USE AS COUPLING AGENTS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-09-30 WO disclosed
EP-0932602-A2 BASES OF CATIONIC OXIDATION, THEIR USE FOR OXIDATIVE DYEING OF KERATIN FIBRES, DYE COMPOSITIONS AND DYEING PROCESSES L'OREAL (FR) 1999-08-04 EP disclosed
WO-1999003834-A2 CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND METHODS L'OREAL (FR) 1999-01-28 WO disclosed