SCHEMBL7307567

SCHEMBL7307567

CCc1nn(C2CCCC2)c2nc(-c3ccnc(OCCN4CCOCC4)c3)nc(N)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
MAP3K11 Q16584 1/20 0.39
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FLT3 P36888 3/20 0.35
KIT P10721 2/20 0.35
PDE5A O76074 1/20 0.35
HTR2B P41595 1/20 0.35
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
SRC P12931 2/20 0.34
KDR P35968 2/20 0.34
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL7307551 0.86 SRC (0.34) HDAC1HDAC8HDAC6PDE5ASRC
SCHEMBL7321184 0.83 PIK3CD (0.40) SRCKDRPIK3CAMTORPIK3CD
SCHEMBL7317680 0.78 SRC (0.38) PDE5ASRCKDRPIK3CAMTOR
SCHEMBL8987482 0.74 PDE5A (0.37) HDAC1PDE5ASRCKDRPIK3CA
SCHEMBL7312223 0.74 TLR9 (0.39) PDE5ASRCKDRPIK3CAMTOR
SCHEMBL5595224 0.71 SIGMAR1 (0.41) SIGMAR1MAP3K11HDAC1HDAC8HDAC6
SCHEMBL9081191 0.68 PDE4A (0.36) SRCKDRPIK3CAMTORPIK3CD
SCHEMBL3398936 0.68 SIGMAR1 (0.48) SIGMAR1HTR2B
SCHEMBL7313010 0.68 EGFR (0.36) PDE5ASRCKDRPIK3CAMTOR
SCHEMBL7312127 0.68 PDE5A (0.42) PDE5ASRCKDRPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US disclosed