SCHEMBL8891398

SCHEMBL8891398

CSc1oc(C(=O)NN)nc1C#N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
AGTR1 P30556 1/20 0.33
KDM4E B2RXH2 2/20 0.31
P2RX7 Q99572 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL8892503 0.80
SCHEMBL8892182 0.80 GAA (0.35) KDM4EGAA
SCHEMBL8890049 0.68 GAA (0.41) MAPTAGTR1GAA
SCHEMBL8890599 0.66 LMNA (0.33)
SCHEMBL8890587 0.64 KDM4E (0.32) KDM4E
SCHEMBL26050978 0.61 MAPT (0.36) MAPTAGTR1KDM4EGAA
SCHEMBL8899495 0.58 POLB (0.41) MAPTKDM4EGAA
SCHEMBL28851855 0.58 GAA (0.38) MAPTKDM4EP2RX7GAA
SCHEMBL11094469 0.57 MEN1 (0.42) MAPTKDM4EGAA
SCHEMBL27982509 0.57 P2RX7 (0.42) MAPTKDM4EP2RX7GAA

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
WO-1997024340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed