SCHEMBL8887755

SCHEMBL8887755

CCC(O)(CO)n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 2/20 0.52
▸ BLM P54132 2/20 0.50
▸ PNP P00491 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ EDNRA P25101 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HBB P68871 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ VCP P55072 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ XDH P47989 2/20 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
SCHEMBL22021887 0.82 MEN1 (0.51) TK1BLMPNPUSP2TSHR
SCHEMBL18769787 0.82 MEN1 (0.51) TK1BLMPNPUSP2TSHR
SCHEMBL5021598 0.78 XDH (0.55) TK1BLMPNPUSP2TSHR
SCHEMBL8905863 0.78 PNP (0.51) TK1BLMPNPUSP2TSHR
SCHEMBL21090694 0.78 MEN1 (0.47) TK1BLMPNPUSP2TSHR
SCHEMBL21417341 0.77 XDH (0.53) TK1BLMPNPUSP2TSHR
SCHEMBL22704545 0.77 MEN1 (0.49) TK1BLMPNPUSP2TSHR
SCHEMBL22260577 0.77 MEN1 (0.49) TK1BLMPNPUSP2TSHR
SCHEMBL20610967 0.75 MEN1 (0.44) TK1BLMPNPUSP2TSHR
SCHEMBL11091666 0.75 XDH (0.49) TK1BLMPNPUSP2TSHR

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
US-5663175-A THYMIDINE KINASE MERCK & CO. INC. (US) 1997-09-02 — — US disclosed
EP-0055239-A1 Novel derivatives of guanine Astra Läkemedel Aktiebolag (SE) 1982-06-30 — — EP disclosed
Send feedback