SCHEMBL6435908

SCHEMBL6435908

O=C1CCCC2=C1C(c1ccncc1)C1=C(CCS1)N2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 3/20 0.56
KDM4E B2RXH2 7/20 0.51
GAA P10253 4/20 0.51
HSD17B10 Q99714 6/20 0.50
HPGD P15428 5/20 0.50
CASP1 P29466 3/20 0.50
ALDH1A1 P00352 7/20 0.45
USP2 O75604 3/20 0.45
LMNA P02545 1/20 0.44
CASP7 P55210 2/20 0.44
TSHR P16473 1/20 0.44
ABCC9 O60706 4/20 0.43
ABCC8 Q09428 4/20 0.43
KCNJ11 Q14654 4/20 0.43
KCNJ8 Q15842 4/20 0.43
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.40

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
SCHEMBL6909986 0.95 GPR174 (0.56) GPR174KDM4EGAAHSD17B10HPGD
SCHEMBL6434638 0.87 GAA (0.59) GPR174KDM4EGAAHSD17B10HPGD
SCHEMBL6907896 0.83 GPR174 (0.55) GPR174KDM4EGAAALDH1A1ABCC9
SCHEMBL6908858 0.82 GAA (0.59) GPR174KDM4EGAAHSD17B10HPGD
SCHEMBL6909423 0.81 KDM4E (0.54) KDM4EHSD17B10HPGDALDH1A1ABCC9
SCHEMBL6431674 0.81 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6432586 0.81 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6432083 0.81 ABCC9 (0.61) KDM4EGAAHSD17B10ALDH1A1LMNA
SCHEMBL6903824 0.81 ABCC9 (0.61) KDM4EGAAHSD17B10ALDH1A1LMNA
SCHEMBL6903919 0.81 ABCC9 (0.61) KDM4EGAAHSD17B10ALDH1A1LMNA

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