SCHEMBL9412508

SCHEMBL9412508

CC(=O)OCCOCn1nnc2nc(N)ncc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
ADRA1A P35348 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.31
HBB P68871 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9127572 0.82 PNP (0.37) TSHRHSD17B10HBB
SCHEMBL9125838 0.82 KDM4E (0.35) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL6987870 0.81 KDM4E (0.40) ALDH1A1KDM4EHPGDADRA1AHSD17B10
SCHEMBL6992857 0.71 MEN1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL8926305 0.70 HSD17B10 (0.61) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL9122750 0.68
SCHEMBL19770359 0.67 KDM4E (0.35) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL8210030 0.64 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL11249941 0.63 MEN1 (0.57) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL9366819 0.62 MEN1 (0.56) TSHRMEN1KMT2AHSD17B10HSP90AA1

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-0589335-A1 N1-Substituted- (1H)-1,2,3-Triazolo (4,5-d) pyrimidines, process for their preparation and their use as antiviral means HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-30 EP disclosed