SCHEMBL2468299

SCHEMBL2468299

Cc1ccc(C(Br)C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
CHRNA7 P36544 1/20 0.39
ACHE P22303 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 4/20 0.36
STAT3 P40763 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
ALOX5 P09917 1/20 0.34
LMNA P02545 3/20 0.33
PKM P14618 2/20 0.33
HTT P42858 2/20 0.33
ATM Q13315 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TYR P14679 1/20 0.33
HPGD P15428 1/20 0.33
NLRP1 Q9C000 1/20 0.33
TLR9 Q9NR96 1/20 0.33
NTSR1 P30989 1/20 0.33

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
SCHEMBL21597319 1.00 CYP2A6 (0.42) CYP2A6CHRNA7ACHETDP1ALDH1A1
SCHEMBL1505157 0.81 TYR (0.54) ALDH1A1GAALMNAHTTTYR
SCHEMBL579790 0.80 ACP3 (0.31) TYR
SCHEMBL1440680 0.80 ACP3 (0.31) TYR
SCHEMBL22590138 0.78 CYP2A6 (0.40) CYP2A6ALDH1A1MEN1KMT2AALOX5
SCHEMBL321965 0.78 CYP2A6 (0.40) CYP2A6ALDH1A1MEN1KMT2AALOX5
SCHEMBL28275831 0.77 CYP2A6 (0.39) CYP2A6CHRNA7ACHETDP1ALDH1A1
SCHEMBL191880 0.76 GSK3B (0.40)
SCHEMBL20550831 0.76 IDO1 (0.38) ALDH1A1GAALMNASMN1; SMN2CES2
SCHEMBL5801700 0.76 ERN1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557865-A Thioether-promoted cysteine-based bioconjugation method 南京工业大学 2023-01-03 CN claimed
EP-4274569-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER Anima Biotech Inc. (US) 2023-11-15 EP disclosed
WO-2022150316-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2022-07-14 WO disclosed
EP-3999182-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2022-05-25 EP disclosed
EP-3768668-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2021-01-27 EP disclosed
WO-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 WO disclosed
WO-2020163236-A1 TREATING LONG QT SYNDROME THE GENERAL HOSPITAL CORPORATION (US) 2020-08-13 WO disclosed
WO-2019183367-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
EP-3386993-A1 SUBSTITUTED PERHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND THE USE OF SAME Bayer Pharma Aktiengesellschaft (DE) 2018-10-17 EP disclosed
EP-3386979-A1 2-PHENYL-3-(PIPERAZINOMETHYL)IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS BLOCKERS OF TASK-1 AND TASK-2 CHANNELS, FOR THE TREATMENT OF SLEEP-RELATED BREATHING DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2018-10-17 EP disclosed
EP-1742627-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2007-01-17 EP disclosed
WO-2007001225-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS ALPHA 7 NICOTINIC RECEPTOR MODULATORS. ASTRAZENECA (SE) 2007-01-04 WO disclosed
WO-2006122250-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-11-16 WO disclosed
WO-2006078287-A9 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON INC (US) 2006-08-31 WO disclosed
WO-2006078287-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2006-07-27 WO disclosed
WO-2005040163-A1 HETEROCYCLIC COMPOUNDS THAT BLOCK THE EFFECTS OF ADVANCED GLYCATION END PRODUCTS (AGE) DR. REDDY'S LABORATORIES LTD (IN) 2005-05-06 WO disclosed
EP-1463735-A1 IMIDAZO[2,1-B]-1,3,4-THIADIAZOLE SULFONAMIDES Aegera Therapeutics Inc. (CA) 2004-10-06 EP disclosed
WO-2003051890-A1 IMIDAZO [2,1-B]-1,3,4-THIADIAZOLE SUFLONAMIDES AEGERA THERAPEUTICS INC. (CA) 2003-06-26 WO disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed