SCHEMBL2298211

SCHEMBL2298211

Fc1cc(Br)ccc1CCBr

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
PYCR1 P32322 1/20 0.45
KDM1A O60341 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
AKR1B1 P15121 1/20 0.39
DGAT1 O75907 1/20 0.38
NAAA Q02083 1/20 0.38
CHRM5 P08912 1/20 0.37
KDM1B Q8NB78 1/20 0.36
HSP90B1 P14625 1/20 0.35
TRAP1 Q12931 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL15554512 0.83 DPP4 (0.39) PDPK1PYCR1KDM1ADGAT1KDM1B
SCHEMBL1819663 0.83 TAAR1 (0.50) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL29393338 0.82 PYCR1 (0.47) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL308050 0.82 PYCR1 (0.47) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL20465750 0.82 PYCR1 (0.47) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL1311178 0.81 PDPK1 (0.44) PDPK1PYCR1KDM1ANPC1RAB9A
Hydrochloric Acid SCHEMBL12476650 0.81 TAAR1 (0.48) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL5879 0.81 PDPK1 (0.44) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL5404668 0.81 PYCR1 (0.47) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL5826 0.81 PDPK1 (0.48) PDPK1PYCR1KDM1ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074768-B Pyridone derivatives as inhibitors of transfection Rearrangement (RET) kinase 葛兰素史克知识产权发展有限公司 2019-12-10 CN disclosed
EP-2744333-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-06-25 EP disclosed
CN-101006092-B Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and therapeutic agents using the same PFIZER 2013-04-17 CN disclosed
WO-2013028447-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed
CN-101351451-B Polycyclic amino acid derivatives and methods of use thereof LEXICON PHARMACEUTICALS INC 2013-02-20 CN disclosed
CN-102753558-A Nitroimidazooxazines and their use in antitubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEV 2012-10-24 CN disclosed
CN-102666541-A Purine or deazapurine derivatives for the treatment of, in particular, viral infections GILEAD SCIENCES INC 2012-09-12 CN disclosed
CN-102361862-A Thiophenyl sulfonamides for the treatment of alzheimer's disease BRISTOL MYERS SQUIBB CO 2012-02-22 CN disclosed
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 WO disclosed
CN-101538268-B Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER 2011-07-27 CN disclosed
CN-102066337-A 5-hydroxypyrimidine-4-carboxamide compounds DAIICHI SANKYO CO LTD 2011-05-18 CN disclosed
CN-101918392-A Pyrazole derivatives as 5-LO inhibitors PFIZER 2010-12-15 CN disclosed
CN-101538268-A Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER 2009-09-23 CN disclosed
CN-101006092-A Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and therapeutic agents using the same PFIZER (US) 2007-07-25 CN disclosed