SCHEMBL7968276

SCHEMBL7968276

Nc1nc2ncn(CCC(F)CO)c2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
VCP P55072 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
TK1 P04183 2/20 0.42
PNP P00491 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
EDNRA P25101 1/20 0.39
HTR2A P28223 1/20 0.39
RECQL P46063 1/20 0.39
HBB P68871 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPRT1 P00492 8/20 0.37

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
SCHEMBL7984151 0.88 BLM (0.46) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL48362 0.83 TK1 (0.51) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL29286377 0.83 TK1 (0.46) BLMALDH1A1MEN1KMT2ATK1
SCHEMBL10920045 0.81 TK1 (0.66) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL1665132 0.80 TK1 (0.47) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL7977785 0.80 TK1 (0.64) BLMTK1PNPUSP2TSHR
SCHEMBL4322052 0.80 HPRT1 (0.42) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL20472317 0.79 SMN1; SMN2 (0.45) BLMALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL48223 0.78 PNP (0.42) BLMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27710751 0.78 ADORA2A (0.52) ALDH1A1MEN1KMT2ATK1

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-2001094348-A1 ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-12-13 WO disclosed