SCHEMBL3850862

SCHEMBL3850862

O=C1NC(=O)c2c(Br)c(Br)cc3cccc1c23

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.59
PARP1 P09874 3/20 0.55
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GSK3B P49841 2/20 0.39
PARG Q86W56 1/20 0.39
MAPT P10636 2/20 0.39
CASP7 P55210 2/20 0.39
RGS12 O14924 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
APEX1 P27695 1/20 0.39
CASP1 P29466 1/20 0.39
BRCA1 P38398 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
SCHEMBL13606633 0.81 NPSR1 (0.52) NPSR1PARP1MEN1KMT2APKM
SCHEMBL13606629 0.81 NPSR1 (0.52) NPSR1PARP1MEN1KMT2APKM
SCHEMBL3852142 0.80 PARP1 (0.63) NPSR1PARP1MEN1KMT2APKM
SCHEMBL5051981 0.80 PARP1 (0.62) NPSR1PARP1MEN1KMT2APKM
SCHEMBL9995282 0.78 CES1 (0.57) NPSR1PARP1MEN1KMT2AMAPT
SCHEMBL8094185 0.77 NPSR1 (0.48) NPSR1PARP1MEN1KMT2APKM
SCHEMBL3079295 0.75 CES1 (0.63) NPSR1PARP1MEN1KMT2APKM
SCHEMBL31241414 0.75 CES1 (0.63) NPSR1PARP1MEN1KMT2APKM
SCHEMBL503034 0.75 TYMS (0.53) NPSR1TDP1CES1CYP1B1
SCHEMBL5749227 0.75 NPSR1 (1.00) NPSR1PARP1MEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114188534-B Naphthalene diimide positive electrode material containing sulfur atoms, and preparation method and application thereof 郑州轻工业大学 2024-02-02 CN claimed
CN-113185535-B Benzothiophene compound based on naphthalimide and preparation and application thereof 北京化工大学 2023-01-24 CN claimed
CN-113121563-B Thienophthalimide compound, thiophenethiol and preparation and application thereof 北京化工大学 2022-10-28 CN claimed
CN-113185535-A Benzothiophene compound based on naphthalimide and preparation and application thereof 北京化工大学 2021-07-30 CN claimed
CN-113121563-A Thienophthalimide compound, thiophenethiol and preparation and application thereof 北京化工大学 2021-07-16 CN claimed
US-20070270570-A1 WHITE ELECTROLUMINESCENT POLYMERIC MATERIAL AND PREPARATION THEREOF CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINES ACADEMY OF SCIENCE (CN) 2007-11-22 US claimed
US-20050214568-A1 White electroluminescent polymeric material & preparation thereof CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCE 2005-09-29 US claimed
CN-114188534-B Naphthalene diimide positive electrode material containing sulfur atoms, and preparation method and application thereof 郑州轻工业大学 2024-02-02 CN disclosed
CN-114656474-B Conjugated macrocyclic material based on naphthalimide and preparation method thereof 复旦大学 2023-07-14 CN disclosed
CN-113185535-B Benzothiophene compound based on naphthalimide and preparation and application thereof 北京化工大学 2023-01-24 CN disclosed
CN-113121563-B Thienophthalimide compound, thiophenethiol and preparation and application thereof 北京化工大学 2022-10-28 CN disclosed
CN-114656474-A Conjugated macrocyclic material based on naphthalimide and preparation method thereof 复旦大学 2022-06-24 CN disclosed
CN-113912634-A Bromination method of bilateral bithiophene thick naphthalimide and brominated product 北京化工大学 2022-01-11 CN disclosed
CN-113185535-A Benzothiophene compound based on naphthalimide and preparation and application thereof 北京化工大学 2021-07-30 CN disclosed
CN-113121563-A Thienophthalimide compound, thiophenethiol and preparation and application thereof 北京化工大学 2021-07-16 CN disclosed
US-7579091-B2 White electroluminescent polymeric material and preparation thereof CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCE (CN) 2009-08-25 US disclosed
US-20070270570-A1 WHITE ELECTROLUMINESCENT POLYMERIC MATERIAL AND PREPARATION THEREOF CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINES ACADEMY OF SCIENCE (CN) 2007-11-22 US disclosed
US-20050214568-A1 White electroluminescent polymeric material & preparation thereof CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCE 2005-09-29 US disclosed