SCHEMBL6434638

SCHEMBL6434638

O=C1CCCC2=C1C(c1cccnc1)C1=C(CCS1)N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.59
KDM4E B2RXH2 8/20 0.59
ALDH1A1 P00352 8/20 0.59
HPGD P15428 6/20 0.59
GPR174 Q9BXC1 3/20 0.59
GLA P06280 2/20 0.59
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 6/20 0.54
CASP1 P29466 4/20 0.54
CASP7 P55210 4/20 0.54
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.44
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
KCNJ8 Q15842 1/20 0.44
GALK1 P51570 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL6908858 0.95 GAA (0.59) GAAKDM4EALDH1A1HPGDGPR174
SCHEMBL6435908 0.87 GPR174 (0.56) GAAKDM4EALDH1A1HPGDGPR174
SCHEMBL6432045 0.83 ABCC9 (0.54) GAAKDM4EALDH1A1HPGDGPR174
SCHEMBL7235164 0.82 ABCC9 (0.45) GAAKDM4EALDH1A1HPGDGPR174
SCHEMBL6909986 0.82 GPR174 (0.56) GAAKDM4EALDH1A1HPGDGPR174
SCHEMBL6907896 0.81 GPR174 (0.55) GAAKDM4EALDH1A1GPR174GLA
SCHEMBL7234156 0.80 ABCC9 (0.62) GAAKDM4EALDH1A1HPGDGPR174
SCHEMBL6436430 0.78 MEN1 (0.48) GAAKDM4EALDH1A1GPR174MEN1
SCHEMBL7234562 0.77 KMT2A (0.47) GAAKDM4EALDH1A1GPR174GLA
SCHEMBL6434255 0.77 ABCC9 (0.77) GAAKDM4EALDH1A1HPGDGPR174

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP claimed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US claimed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP claimed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO claimed
EP-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP disclosed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO disclosed