SCHEMBL6927520

SCHEMBL6927520

CCCOc1ccc(Br)cc1C1[N]C(=O)c2c(C)n[nH]c2N1CCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
WDR5 P61964 2/20 0.33
PDE5A O76074 7/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.31
XBP1 P17861 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL8769700 0.84 MAPT (0.39) MAPTLMNATP53WDR5PDE5A
SCHEMBL7132309 0.83 KDM4E (0.45) MAPTLMNAHPGDKDM4EPOLB
SCHEMBL8769913 0.80 KDM4E (0.34) MAPTLMNAHPGDKDM4EALDH1A1
SCHEMBL3877971 0.67 KDM4E (0.46) MAPTLMNAHPGDKDM4EPOLB
SCHEMBL6528774 0.61 TP53 (0.39) MAPTLMNATP53WDR5HPGD
SCHEMBL4816249 0.59 HPGD (0.57) LMNAHPGDKDM4ETDP1POLB
SCHEMBL7928370 0.59 HPGD (0.60) MAPTLMNATP53HPGDKDM4E
SCHEMBL7306609 0.58 PDE5A (0.79) PDE5A
SCHEMBL5699880 0.56 HPGD (0.65) MAPTLMNATP53HPGDKDM4E
SCHEMBL5881114 0.56 HPGD (0.55) MAPTLMNATP53HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1365806-A2 USE OF NO ACTTIVATORS FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2003-12-03 EP claimed
WO-2001078781-A9 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS UNIV JOHNS HOPKINS (US) 2002-07-25 WO claimed
WO-2001078781-A2 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2001-10-25 WO claimed
EP-0793498-A1 BICYCLIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF IMPOTENCE Pfizer Limited (GB) 1997-09-10 EP claimed
WO-1996016657-A1 BICYCLIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF IMPOTENCE PFIZER LIMITED (GB) 1996-06-06 WO claimed
EP-1365806-A2 USE OF NO ACTTIVATORS FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2003-12-03 EP disclosed
EP-1331950-A1 METHODS AND COMPOSITIONS FOR NUCLEIC ACID DELIVERY The Johns Hopkins University (US) 2003-08-06 EP disclosed
WO-2002030470-A9 METHODS AND COMPOSITIONS FOR NUCLEIC ACID DELIVERY UNIV JOHNS HOPKINS (US) 2003-02-06 WO disclosed
WO-2001078781-A9 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS UNIV JOHNS HOPKINS (US) 2002-07-25 WO disclosed
WO-2002030470-A1 METHODS AND COMPOSITIONS FOR NUCLEIC ACID DELIVERY JOHNS HOPKINS UNIVERSITY (US) 2002-04-18 WO disclosed
WO-2001078781-A2 METHODS FOR PREVENTION AND TREATMENT OF GASTROINTESTINAL DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2001-10-25 WO disclosed
EP-1140044-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION Novartis AG (CH) 2001-10-10 EP disclosed
WO-2000037061-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-06-29 WO disclosed