SCHEMBL4789832

SCHEMBL4789832

C=CCc1ccc[c]c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
AKR1B1 P15121 1/20 0.36
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
ALOX5 P09917 1/20 0.30
GAA P10253 1/20 0.30
GABRB1 P18505 1/20 0.30
RXRA P19793 1/20 0.30
CNR1 P21554 1/20 0.30
GABRA5 P31644 1/20 0.30

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
SCHEMBL11380312 0.84 GABRA1 (0.43) GABRA1GABRB2AKR1B1KMT2AL3MBTL1
SCHEMBL5204636 0.78 TLR8 (0.38) ALDH1A1
SCHEMBL176260 0.78 GABRA1 (0.42) GABRA1GABRB2AKR1B1MEN1MAPT
SCHEMBL9689790 0.76
SCHEMBL1638775 0.76 GABRA1 (0.50) GABRA1GABRB2AKR1B1MEN1MAPT
SCHEMBL7761703 0.76 GABRA1 (0.41) GABRA1GABRB2AKR1B1MEN1MAPT
SCHEMBL3661576 0.76 GABRA1 (0.41) GABRA1GABRB2AKR1B1MEN1MAPT
SCHEMBL1515067 0.76 GABRA1 (0.41) GABRA1GABRB2AKR1B1MEN1MAPT
SCHEMBL5454296 0.76 GABRA1 (0.41) GABRA1GABRB2AKR1B1MEN1MAPT
SCHEMBL5091335 0.76 GABRA1 (0.41) GABRA1GABRB2AKR1B1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1913884-A Substituted benzazoles and methods of their use as inhibitors of RAF kinase CHIRON CORP (US) 2007-02-14 CN claimed
CN-1655779-A substituted indoles and their use as Raf kinase inhibitors CHIRON CORP (US) 2005-08-17 CN claimed
US-3941887-A Dithiobiuret derivatives used for repelling birds, rodents, leporine animals and ruminants BAYER AKTIENGESELLSCHAFT (DT) 1976-03-02 US claimed
WO-2024064769-A1 INDUCTION OF STEM-LIKE ACTIVATED T CELLS PHIO PHARMACEUTICALS CORP. (US) 2024-03-28 WO disclosed
EP-3980404-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS Exelixis, Inc. (US) 2022-04-13 EP disclosed
WO-2020247418-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS, INC. (US) 2020-12-10 WO disclosed
WO-2019079706-A1 AMINOGLYCOSIDE ANTIBIOTICS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-04-25 WO disclosed
WO-2018213365-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTION AND OTHER VIRAL INFECTIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-11-22 WO disclosed
EP-3092220-A1 VITAMIN C PRODRUGS AND USES THEREOF University of Florida Research Foundation, Inc. (US) 2016-11-16 EP disclosed
WO-2016100444-A1 TREATMENT OF CLOSED HEAD INJURY AND HEMORRHAGIC STROKE WITH HBED UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-06-23 WO disclosed
EP-2991665-A1 STAPLED AND STITCHED POLYPEPTIDES AND USES THEREOF President and Fellows of Harvard College (US) 2016-03-09 EP disclosed
CN-101495147-B Pharmaceutical combinations. NOVARTIS AG 2012-01-25 CN disclosed
CN-101495147-A Pharmaceutical combinations. NOVARTIS AG (CH) 2009-07-29 CN disclosed
EP-1940835-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-09 EP disclosed
WO-2007036733-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
CN-1913884-A Substituted benzazoles and methods of their use as inhibitors of RAF kinase CHIRON CORP (US) 2007-02-14 CN disclosed
EP-1737857-A1 PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-03 EP disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed
US-6245722-B1 Silicone wax-based dry lubricant Maples, Paul D. 2001-06-12 US disclosed
US-3941887-A Dithiobiuret derivatives used for repelling birds, rodents, leporine animals and ruminants BAYER AKTIENGESELLSCHAFT (DT) 1976-03-02 US disclosed