SCHEMBL6435103

SCHEMBL6435103

CC(C)(C)OC(=O)N(N)c1nc2nonc2nc1N

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 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
SCHEMBL6435528 0.83 HTT (0.32) HTT
SCHEMBL6439454 0.76 GAA (0.45) HTTKMT2ALMNAHPGDPOLB
SCHEMBL6431994 0.74 GAA (0.46) HTTKDM4EKMT2ALMNAALDH1A1
SCHEMBL6436341 0.73 MAPK1 (0.42) KDM4EKMT2AALDH1A1
SCHEMBL6435667 0.72 MAPT (0.42) HTTKMT2ALMNAALDH1A1POLB
SCHEMBL6436802 0.71 MAPT (0.44) HTTKDM4EKMT2AALDH1A1HPGD
SCHEMBL28281023 0.66 TRPM8 (0.32)
SCHEMBL2529611 0.62 MT-CO2 (0.42) KDM4E
SCHEMBL31009098 0.62 GPR119 (0.36) LMNAALDH1A1POLB
SCHEMBL27780944 0.62 PKM (0.35) HTTKMT2AALDH1A1POLB

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-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed