SCHEMBL9318237

SCHEMBL9318237

Cc1nc2[nH]c(=O)[nH]c(=O)c2n1Cc1noc(CCl)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
GDA Q9Y2T3 1/20 0.31
BRDT Q58F21 1/20 0.31
NOD1 Q9Y239 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL9318242 0.69
SCHEMBL9387974 0.69 GDA (0.38) DPP4GDABRDTNOD1
SCHEMBL9386888 0.68 GDA (0.37) DPP4GDABRDTNOD1
SCHEMBL874548 0.68 ALDH1A1 (0.39) DPP4GDABRDTNOD1
SCHEMBL9318082 0.65 SMN1; SMN2 (0.50) BRDTNOD1TRPA1
SCHEMBL7004955 0.64 GDA (0.49) DPP4GDANOD1
SCHEMBL9844556 0.64 NOD1 (0.44) DPP4GDANOD1
SCHEMBL9318234 0.63 ALDH1A1 (0.47) TRPA1
SCHEMBL7113892 0.61 PDE3B (0.43) NOD1
SCHEMBL11165171 0.61

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
EP-0264081-B1 Oxadiazolyl alkyl purin derivatives, their preparation and their use in pharmaceutical compositions CHINOIN GYOGYSZER ES VEGYESZET (HU) 1994-01-05 EP disclosed
EP-0264081-A2 Oxadiazolyl alkyl purin derivatives, their preparation and their use in pharmaceutical compositions CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-04-20 EP disclosed