SCHEMBL9513624

SCHEMBL9513624

Cc1c(O)c(=O)ccn1CCCCCC(=O)NCCNC(=O)CCCCCn1ccc(=O)c(O)c1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MAOB P27338 10/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
KDM6A O15550 1/20 0.43
KDM4A O75164 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM5C P41229 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
DOHH Q9BU89 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL9513643 0.95 APP (0.50) APPHRH3MAOBKDM4EHTT
SCHEMBL9513053 0.88 MAOB (0.51) APPHRH3MAOBKDM4EHTT
SCHEMBL9513592 0.84 APP (0.61) APPHRH3MAOBKDM4EHTT
SCHEMBL10359200 0.84 APP (0.61) APPHRH3MAOBKDM4EHTT
SCHEMBL16625508 0.83 KDM4E (0.52) APPHRH3MAOBKDM4EHTT
SCHEMBL16625510 0.83 KDM4E (0.52) APPHRH3MAOBKDM4EHTT
SCHEMBL16625509 0.83 KDM4E (0.52) APPHRH3MAOBKDM4EHTT
SCHEMBL18920868 0.83 APP (0.49) APPHRH3MAOBKDM4EHTT
SCHEMBL8102697 0.83 MAOB (0.51) APPHRH3MAOBKDM4EHTT
SCHEMBL9512074 0.82 MAOB (0.48) APPHRH3MAOBKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357150-B1 Pharmaceutical compositions BRITISH TECH GROUP (GB) 1993-12-08 EP disclosed
US-5104865-A IRON COMPLEXES OF HYDROXYPYRIDONES USEFUL FOR TREATING IRON OVERLOAD NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-04-14 US disclosed
US-4912118-A Therapy for toxic concentration of metal NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-27 US disclosed
EP-0357150-A1 Pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1990-03-07 EP disclosed
EP-0138421-A2 Hydroxypyridone derivatives and pharmaceutical compositions containing them NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-04-24 EP disclosed