SCHEMBL11564661

SCHEMBL11564661

CC(O)N(c1cc(N2CCCCC2)c2nc(N(C(C)O)C(C)O)nc(N3CCCCC3)c2n1)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 14/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PDE2A O00408 1/20 0.42
▸ RGS12 O14924 1/20 0.42
▸ SLC22A2 O15244 1/20 0.42
▸ SLC22A1 O15245 1/20 0.42
▸ ABCC4 O15439 1/20 0.42
▸ ABCC5 O15440 1/20 0.42
▸ PDE6D O43924 1/20 0.42
▸ PDE8A O60658 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ABCB1 P08183 1/20 0.42

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
SCHEMBL3395769 0.85 SLC29A1 (0.54) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL141541 0.85 SLC29A1 (0.54) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL9565592 0.80 SLC29A1 (0.49) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL15065643 0.79 SLC29A1 (0.48) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL7446838 0.78 SLC29A1 (0.47) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL1956785 0.75 SLC29A1 (0.41) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL6555164 0.75 SMN1; SMN2 (0.39) KDM4EUSP2ALDH1A1LMNAGAA
SCHEMBL4077875 0.74 SLC29A1 (0.43) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL9351966 0.73 SLC29A1 (0.56) SLC29A1KDM4EMEN1PDE2ARGS12
SCHEMBL2458640 0.72 SLC29A1 (0.41) SLC29A1KDM4EMEN1PDE2ARGS12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4147789-A ANTIPARKINSON AGENTS SANDOZ LTD. (CH) 1979-04-03 — — US disclosed
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