SCHEMBL8927158

SCHEMBL8927158

Nc1nc2c(ncn2C(=O)C(F)(F)[C@H](N)[C@H](O)CO)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 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 0.45
PNP P00491 6/20 0.44
HBB P68871 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
EDNRA P25101 1/20 0.44
HTR2A P28223 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPRT1 P00492 2/20 0.43

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
SCHEMBL8742951 0.90 BLM (0.48) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL8742956 0.90 BLM (0.48) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL8743090 0.90 BLM (0.48) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL8926287 0.82 BLM (0.48) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL9139603 0.77 HPGD (0.41) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL7765224 0.74 TK1 (0.57) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL27923065 0.73 XDH (0.55) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL27541246 0.73 XDH (0.58) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL10914735 0.72 BLM (0.65) BLMMEN1KMT2AALDH1A1LMNA
SCHEMBL4446276 0.72 XDH (0.54) BLMMEN1KMT2AALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5644043-A ANTITUMOR, ANTICANCER, TREATMENT OF HERPES ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
US-5574021-A LEUKEMIA ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed
EP-0329348-B1 2',3'-Dideoxy-2',2'-difluoronucleosides LILLY CO ELI (US) 1995-07-12 EP disclosed
EP-0329348-A2 2',3'-Dideoxy-2',2'-difluoronucleosides ELI LILLY AND COMPANY (US) 1989-08-23 EP disclosed