SCHEMBL5055246

SCHEMBL5055246

OCC[N+](CCO)c1nc(N2CCCCC2)c2nc(Cl)nc(N3CCCCC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 14/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE2A O00408 1/20 0.43
RGS12 O14924 1/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
ABCC4 O15439 1/20 0.43
ABCC5 O15440 1/20 0.43

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
SCHEMBL5055560 0.84 MEN1 (0.45) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL5315250 0.78 ALDH1A1 (0.46) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL7930957 0.76 ALDH1A1 (0.44) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL25488841 0.72 SLC29A1 (0.41) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL5055250 0.72 SLC29A1 (0.83) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL29973070 0.72 SLC29A1 (0.83) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL7942147 0.71 HTT (0.45) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL7446848 0.69 SLC29A1 (0.53) SLC29A1MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL17896292 0.69 MEN1 (0.44) SLC29A1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL25488848 0.69 SLC29A1 (0.71) SLC29A1MEN1CYP3A4CYP2C9CYP2C19

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-1894561-A1 Dipyridamole pharmaceutical compositions Dr. Reddy's Laboratories Ltd. (IN) 2008-03-05 EP disclosed