SCHEMBL5043939

SCHEMBL5043939

CCc1c(N2CCNCC2)c(F)cc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 6/20 0.50
HPGD P15428 6/20 0.50
HSD17B10 Q99714 6/20 0.50
LMNA P02545 5/20 0.50
TSHR P16473 2/20 0.50
BRD4 O60885 1/20 0.50
HTT P42858 1/20 0.50
CYP2J2 P51589 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP2C9 P11712 2/20 0.48
ATP6V1B2 P21281 1/20 0.48
TBXA2R P21731 1/20 0.48
EDNRA P25101 1/20 0.48
TARBP2 Q15633 1/20 0.48
PMP22 Q01453 1/20 0.43
TOP2A P11388 5/20 0.43
TOP2B Q02880 4/20 0.43
CYP1A2 P05177 1/20 0.43
TOP1 P11387 1/20 0.42

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
SCHEMBL10610892 0.87 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL6898305 0.83 CYP1A2 (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11116041 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10755284 0.82 KCNH2 (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11106635 0.81 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11020660 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10753255 0.81 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL3239412 0.81 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10757080 0.81 KCNH2 (0.45) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL11023386 0.80 KCNH2 (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083032-A2 Rectally administrable suppository comprising a drug and an adjuvant MERCK & CO. INC. (US) 1983-07-06 EP claimed
EP-2515907-A1 FLUOROQUINOLONES FOR THE TREATMENT AND/OR PROPHYLAXIS OF INFLAMMATORY DISEASES Deutsches Krebsforschungszentrum (DE) 2012-10-31 EP disclosed
EP-1663239-A4 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS SINAI MEDICAL CENTER (US) 2008-07-23 EP disclosed
EP-1827408-A1 METHOD FOR TREATING SKIN DISORDERS WITH XANTHOPHYLLS Nu-Tein Co., Inc. (US) 2007-09-05 EP disclosed
EP-1827400-A2 TOPICAL SKIN PATCH CONTAINING XANTHOPHYLLS Nu-Tein Co., Inc. (US) 2007-09-05 EP disclosed
EP-1814540-A2 COMPOSITIONS USEFUL TO TREAT OCULAR NEOVASCULAR DISEASES AND MACULAR DEGENERATION Nu-Tein Co., Inc. (US) 2007-08-08 EP disclosed
WO-2006062740-A2 TOPICAL SKIN PATCH CONTAINING XANTHOPHYLLS NU-TEIN CO., INC. (US) 2006-06-15 WO disclosed
WO-2006060475-A1 METHOD FOR TREATING SKIN DISORDERS WITH XANTHOPHYLLS NU-TEIN CO., INC. (US) 2006-06-08 WO disclosed
EP-1663239-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2006-06-07 EP disclosed
WO-2006055526-A2 COMPOSITIONS USEFUL TO TREAT OCULAR NEOVASCULAR DISEASES AND MACULAR DEGENERATION NU-TEIN CO., INC. (US) 2006-05-26 WO disclosed
WO-2002045695-A2 HYDROSTATIC DELIVERY SYSTEM FOR CONTROLLED DELIVERY OF AGENT MACGREGOR ALEXANDER (CA) 2002-06-13 WO disclosed
WO-2002012199-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-14 WO disclosed
WO-2001092288-A2 COBALAMIN COMPOUNDS USEFUL AS ANTIBIOTIC AGENTS AND AS IMAGING AGENTS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2001-12-06 WO disclosed
EP-0790992-A1 A NEW PHYSICALLY STABLE SOLID FORM OF A FLUOROQUINOLONE PHARMACIA & UPJOHN COMPANY (US) 1997-08-27 EP disclosed
WO-1996016055-A1 A NEW PHYSICALLY STABLE SOLID FORM OF A FLUOROQUINOLONE PHARMACIA & UPJOHN COMPANY (US) 1996-05-30 WO disclosed
EP-0241206-A2 Quinoline-3-carboxylic acid derivatives, their preparation and use Sankyo Company Limited (JP) 1987-10-14 EP disclosed
EP-0203795-A2 Benzo [i,j] quinolizine-2-carboxylic acid derivatives, the salts and their hydrates, pharmaceutical compositions thereof, and process for preparing the same TOKYO TANABE COMPANY LIMITED (JP) 1986-12-03 EP disclosed
EP-0155006-A2 Compounds having antibacterial activity, process for their preparation and pharmaceutical compositions containing them FARMADES S.p.A. (IT) 1985-09-18 EP disclosed
EP-0084011-A1 Quinoline carboxylic acid complexes with guanidinium carbonate and guanidine MERCK & CO. INC. (US) 1983-07-20 EP disclosed
EP-0049593-A1 1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinoline carboxylic acid and metal salts thereof useful in burn therapy Fox, Charles l., Jr. (US) 1982-04-14 EP disclosed