SCHEMBL8102858

SCHEMBL8102858

Nc1nc(C2O[C@H](CO)[C@@H](O)[C@@H]2OP(=O)(O)O)nc2nc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.43
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
PDPK1 O15530 1/20 0.35
GDA Q9Y2T3 1/20 0.35

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
Phosphoric Acid SCHEMBL1130273 0.86 PDPK1 (0.39) KDRAURKBPDPK1GDA
SCHEMBL9393271 0.83 PDPK1 (0.43) KDRAURKBPDPK1GDA
SCHEMBL1994118 0.83 PDPK1 (0.43) KDRAURKBPDPK1GDA
SCHEMBL8509311 0.83 PDPK1 (0.43) KDRAURKBPDPK1GDA
SCHEMBL4436406 0.83 PDPK1 (0.43) KDRAURKBPDPK1GDA
SCHEMBL2636634 0.83 PDPK1 (0.43) KDRAURKBPDPK1GDA
SCHEMBL5182602 0.83 PDPK1 (0.43) KDRAURKBPDPK1GDA
SCHEMBL2010793 0.83 PDPK1 (0.43) KDRAURKBPDPK1GDA
SCHEMBL240029 0.83 PDPK1 (0.43) KDRAURKBPDPK1GDA
SCHEMBL8331267 0.83 PDPK1 (0.43) KDRAURKBPDPK1GDA

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-0983768-A1 MEDICINAL COMPOSITION FOR PREVENTION OR TREATMENT OF HEPATOPATHY Nippon Shinyaku Co., Ltd. (JP) 2000-03-08 EP disclosed