SCHEMBL113852

SCHEMBL113852

NCc1ccc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
AGXT P21549 2/20 0.59
ALDH1A1 P00352 1/20 0.48
MPO P05164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LOXL2 Q9Y4K0 2/20 0.45
TAAR1 Q96RJ0 2/20 0.41
DAO P14920 1/20 0.41
HTR2A P28223 4/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HTR1A P08908 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL26625794 1.00 IDO1 (0.59) IDO1AGXTALDH1A1MPOKDM4E
SCHEMBL4458984 0.88 IDO1 (0.48) IDO1AGXTALDH1A1MPOKDM4E
Trifluoroacetic Acid SCHEMBL4243585 0.83 IDO1 (0.44) IDO1AGXTALDH1A1HTR2AHTR2C
SCHEMBL29431834 0.83 IDO1 (0.57) IDO1AGXTALDH1A1MPOKDM4E
SCHEMBL1116576 0.83 IDO1 (0.57) IDO1AGXTALDH1A1MPOKDM4E
SCHEMBL12496555 0.82 MAOB (0.48) IDO1AGXTMPOLOXL2TAAR1
SCHEMBL1398042 0.82 MPO (0.48) IDO1AGXTALDH1A1MPOKDM4E
SCHEMBL28750348 0.82 ADRA2B (0.45) IDO1AGXTALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL2209462 0.81 IDO1 (0.59) IDO1AGXTALDH1A1MPOKDM4E
SCHEMBL8356956 0.80 IDO1 (0.42) IDO1AGXTMPOKDM4ESMN1; SMN2

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

Appears in 2008 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137551-A1 AMINE PURIFICATION IN A CARBON CAPTURE METHOD USING MOF BODIES SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2025-06-26 WO claimed
CN-112410380-B Preparation method of 2, 4-difluorobenzylamine 弈柯莱生物科技(集团)股份有限公司 2025-06-13 CN claimed
CN-119140080-B Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2025-02-11 CN claimed
CN-119140080-A Titanium oxide film catalytic material for rapid high-yield synthesis of imine and preparation method and application thereof 中国科学院理化技术研究所 2024-12-17 CN claimed
CN-115286527-B Preparation method and application of nopic acid amide compounds 南京林业大学 2024-09-13 CN claimed
US-20240270970-A1 METHOD OF MANIPULATING HYDROPHILICITY AND HYDROPHOBICITY OF CONVENTIONAL DYE MOLECULES FOR TRACER APPLICATIONS SAUDI ARABIAN OIL COMPANY (SA) 2024-08-15 US claimed
CN-118421401-A Modified epoxidized soybean oil plasticizer, preparation method, application and blend adhesive 西华大学 2024-08-02 CN claimed
CN-118324954-A Modified ethylene propylene diene monomer rubber compatilizer, preparation method and ethylene propylene diene monomer rubber-fluororubber blend 西华大学 2024-07-12 CN claimed
US-20240199542-A1 SUBSTITUTED PYRROLIDIN-2-ONES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-06-20 US claimed
CN-117736225-A Continuous preparation method of dorterevir 华东理工大学 2024-03-22 CN claimed
EP-1155001-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2003-05-28 EP claimed
US-6417195-B1 LIBRARIES AND COMBINATORIAL CHEMISTRY LION BIOSCIENCE AG (DE) 2002-07-09 US claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
WO-1999031124-A1 CHOLIC ACID-BASED SCAFFOLDS FOR MULTIDIMENSIONAL MOLECULAR PRESENTATION OF PEPTIDES NOVO NORDISK A/S (DK) 1999-06-24 WO claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
CN-1202888-A Isoquinoline derivatives and isoquinoline combinatorial libraries TORREY PINES INST (US) 1998-12-23 CN claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed