SCHEMBL124176

SCHEMBL124176

O=C1Cc2ccccc2[N]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
TRPA1 O75762 3/20 0.42
MAOA P21397 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CYP2A6 P11509 1/20 0.38
HPGD P15428 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP19A1 P11511 3/20 0.37
TNF P01375 2/20 0.37
CES1 P23141 2/20 0.37
BCHE P06276 1/20 0.37
AHR P35869 1/20 0.35
PDK2 Q15119 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
GAA P10253 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
SCHEMBL6305900 0.83 MAOA (0.48) CYP1A2MAOAHPGDNPC1RAB9A
SCHEMBL4758381 0.79 TRPA1 (0.54) CYP1A2TRPA1MAOANOS3NOS1
SCHEMBL2369908 0.79 CYP1A2 (0.42) CYP1A2TRPA1MAOANOS3NOS1
SCHEMBL56649 0.79 NOS3 (0.52) CYP1A2TRPA1MAOANOS3NOS1
SCHEMBL519052 0.76 CYP2A6 (0.45) CYP1A2MAOANOS3NOS1NOS2
SCHEMBL207849 0.74 TRPA1 (0.41) CYP1A2TRPA1MAOANOS3NOS1
SCHEMBL2138630 0.73 MAOA (0.52) CYP1A2MAOACYP19A1TNFCES1
SCHEMBL2095176 0.73 KDM4E (0.39) MAOACYP2A6HPGDNPC1RAB9A
SCHEMBL8429416 0.71 TRPA1 (0.42) CYP1A2TRPA1MAOANOS3NOS1
SCHEMBL2582425 0.70 AHR (0.43) HPGDAHRPDE3BPDE3AGAA

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 3089 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3915405-B1 AEROSOL GENERATION SYSTEM INNO IT CO LTD (KR) 2024-09-04 EP claimed
WO-2024121013-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO claimed
WO-2024112258-A1 SEROTONIN RECEPTOR AS A TARGET FOR THERAPY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2024-05-30 WO claimed
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO claimed
US-RE49851-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-02-27 US claimed
WO-2024035950-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-02-15 WO claimed
US-11866430-B2 Naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-09 US claimed
CN-112585139-B Naphthyridinone compounds as T cell activators 百时美施贵宝公司 2023-12-01 CN claimed
WO-2023225244-A1 HETEROCYCLIC COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE BIOGEN MA INC. (US) 2023-11-23 WO claimed
US-11744824-B2 2-amino-3-carbonyl imidazopyridine and pyrazolopyridine compounds 1ST Biotherapeutics, Inc. (KR) 2023-09-05 US claimed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP claimed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP claimed
EP-0280844-A1 Soap-based cosmetic composition Singh-Verma, Shyam Bir, Dr. (DE) 1988-09-07 EP claimed
WO-1988005655-A1 SOAP-BASED COSMETIC FOR THE BODY EAU DE COLOGNE- & PARFÜMERIE-FABRIK GLOCKENGASSE N (DE) 1988-08-11 WO claimed
EP-0221958-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-11-25 EP claimed
EP-0221958-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-05-20 EP claimed
WO-1986006717-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LOUIS WILLIAM JOHN (AU) 1986-11-20 WO claimed
US-4581356-A HYPOTENSIVE AND ANTIULCER AGENTS; ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-08 US claimed
US-4545806-A 5-(Oxo or thio heterocycle) cyclohexane-1,3-dione derivatives and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1985-10-08 US claimed
EP-0122494-A2 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-24 EP claimed