SCHEMBL4077877

SCHEMBL4077877

OCCON(OCCO)c1nc(N2CCCCC2)c2ncnc(N(OCCO)OCCO)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 14/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PDE2A O00408 1/20 0.47
▸ RGS12 O14924 1/20 0.47
▸ SLC22A2 O15244 1/20 0.47
▸ SLC22A1 O15245 1/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ ABCC5 O15440 1/20 0.47
▸ PDE6D O43924 1/20 0.47
▸ PDE8A O60658 1/20 0.47
▸ GMNN O75496 1/20 0.47
▸ USP2 O75604 1/20 0.47

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
SCHEMBL9565600 0.91 SLC29A1 (0.53) SLC29A1KDM4EALDH1A1LMNANPSR1
SCHEMBL15065644 0.88 SLC29A1 (0.55) SLC29A1KDM4EALDH1A1LMNANPSR1
SCHEMBL141542 0.86 SLC29A1 (0.61) SLC29A1KDM4EALDH1A1LMNANPSR1
SCHEMBL4417277 0.81 SLC29A1 (0.47) SLC29A1KDM4EALDH1A1LMNANPSR1
SCHEMBL7446848 0.79 SLC29A1 (0.53) SLC29A1KDM4EALDH1A1LMNANPSR1
SCHEMBL11045336 0.77 SLC29A1 (0.47) SLC29A1KDM4EALDH1A1LMNANPSR1
SCHEMBL2458642 0.73 SLC29A1 (0.46) SLC29A1KDM4EALDH1A1LMNANPSR1
SCHEMBL11046569 0.73 TSHR (0.49) SLC29A1KDM4EALDH1A1LMNANPSR1
SCHEMBL4077875 0.71 SLC29A1 (0.43) SLC29A1KDM4EALDH1A1LMNANPSR1
SCHEMBL11050390 0.71 SLC29A1 (0.38) SLC29A1ALDH1A1LMNAHIF1ATSHR

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
EP-2062580-A1 Use of dipyridamole or mopidamole for treatment and prevention of thromboembolic diseases and disorders caused by excessive formation of thrombin and/or by elevated expression of trombin receptors Boehringer Ingelheim International GmbH (DE) 2009-05-27 — — EP disclosed
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