SCHEMBL9827038

SCHEMBL9827038

CC(C)OC(C)(OCCO)n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 2/20 0.52
▸ HBB P68871 2/20 0.52
▸ PNP P00491 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ EDNRA P25101 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ VCP P55072 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ TK1 P04183 2/20 0.47
▸ HPRT1 P00492 4/20 0.46

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
SCHEMBL9828669 0.90 MEN1 (0.49) BLMHBBPNPUSP2TSHR
SCHEMBL10775468 0.82 PNP (0.56) BLMHBBPNPUSP2TSHR
SCHEMBL11091666 0.81 XDH (0.49) BLMHBBPNPUSP2TSHR
SCHEMBL5021598 0.75 XDH (0.55) BLMHBBPNPUSP2TSHR
SCHEMBL10436187 0.74 MEN1 (0.48) BLMHBBPNPUSP2TSHR
SCHEMBL8905863 0.74 PNP (0.51) BLMHBBPNPUSP2TSHR
SCHEMBL10436161 0.74 MEN1 (0.47) BLMHBBPNPUSP2TSHR
SCHEMBL21417341 0.74 XDH (0.53) BLMHBBPNPUSP2TSHR
SCHEMBL22021887 0.73 MEN1 (0.51) BLMHBBPNPUSP2TSHR
SCHEMBL18769787 0.73 MEN1 (0.51) BLMHBBPNPUSP2TSHR

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-0217207-B1 2-AMINO PURINES SUBSTITUTED IN POSITIONS 6 AND 9, THEIR USE, MEDICAMENTS CONTAINING THESE PURINES AND PROCESSES FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-10 — — EP claimed
EP-0400686-A1 2-Amino-9-[1,3bis-(isopropoxy)-propyl-2-oxymethyl]-purine, its utilization and medicaments containing it HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-05 — — EP disclosed
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