SCHEMBL28880995

SCHEMBL28880995

COC(=O)Cn1nnc(N=NN)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CNR2 P34972 1/20 0.44
HSD17B10 Q99714 4/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL3538772 0.76 ALDH1A1 (0.54) TSHRCNR2HSD17B10PKMATM
SCHEMBL13631406 0.74 TSHR (0.50) TSHRCNR2HSD17B10PKMATM
SCHEMBL13104263 0.71 CNR2 (0.58) TSHRCNR2HSD17B10PKMATM
SCHEMBL14531630 0.69 CNR2 (0.56) TSHRCNR2HSD17B10PKMATM
SCHEMBL12868284 0.68 CNR2 (0.54) TSHRCNR2HSD17B10PKMATM
SCHEMBL5290594 0.67 MEN1 (0.72) TSHRCNR2ATMKMT2AMEN1
SCHEMBL6953371 0.65 CNR2 (0.51) TSHRCNR2HSD17B10PKMATM
SCHEMBL20114352 0.62 TSHR (0.75) TSHRCNR2KMT2AMEN1ALDH1A1
SCHEMBL12241709 0.62 TSHR (0.75) TSHRCNR2KMT2AMEN1ALDH1A1
SCHEMBL16503897 0.61 TSHR (0.50) TSHRCNR2HSD17B10KMT2AMEN1

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
CN-107118170-B Preparation method of azoxytetrazole 北京理工大学 2020-01-07 CN claimed
CN-107118170-B Preparation method of azoxytetrazole 北京理工大学 2020-01-07 CN disclosed