SCHEMBL8742956

SCHEMBL8742956

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.48
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
TK1 P04183 2/20 0.46
PNP P00491 7/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
EDNRA P25101 1/20 0.45
HTR2A P28223 1/20 0.45
RECQL P46063 1/20 0.45
HBB P68871 1/20 0.45
HSD17B10 Q99714 1/20 0.45
XDH P47989 1/20 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
SCHEMBL8743090 1.00 BLM (0.48) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL8742951 1.00 BLM (0.48) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL8927158 0.90 BLM (0.47) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL9139603 0.87 HPGD (0.41) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL8926287 0.83 BLM (0.48) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL9167926 0.81 CDK1 (0.42) ALDH1A1
SCHEMBL10767396 0.80 MEN1 (0.32) BLMMEN1ALDH1A1LMNACYP3A4
SCHEMBL9505698 0.79 CDK1 (0.41) LMNASMN1; SMN2PNPPDE3A
SCHEMBL9505594 0.79 PNP (0.34) PNP
SCHEMBL8972502 0.77 GSK3B (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184365-B1 IMPROVEMENTS IN THE TREATMENT OF TUMORS IN MAMMALS ELI LILLY AND COMPANY (US) 1993-08-04 EP claimed
EP-0368668-B1 Antibody-drug conjugates LILLY CO ELI (US) 1997-01-02 EP disclosed
US-5514794-A DERIVATIZED DRUGS WITH MALONATE LINKER, THE DRUG BEING LINKED THROUGH METHYLENE TO THE 2-POSITION CARBON OF MALONATE; THESE ARE INTERMEDIATES FOR THE CONJUGATES ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
US-5464826-A Antitumor, anticarcinogenic agents, treatment of herpes ELI LILLY AND COMPANY (US) 1995-11-07 US disclosed
EP-0184365-B1 IMPROVEMENTS IN THE TREATMENT OF TUMORS IN MAMMALS ELI LILLY AND COMPANY (US) 1993-08-04 EP disclosed
US-5118820-A Carbohydrate is chemical intermediate for nucleoside ELI LILLY AND COMPANY (US) 1992-06-02 US disclosed
US-5061793-A Antitumor agents ELI LILLY AND COMPANY (US) 1991-10-29 US disclosed
US-5015743-A 2-Deoxy-2,2-difluororibose ELI LILLY AND COMPANY (US) 1991-05-14 US disclosed
US-5010176-A Malonate linker ELI LILLY AND COMPANY (US) 1991-04-23 US disclosed
EP-0368668-A2 Antibody-drug conjugates ELI LILLY AND COMPANY (US) 1990-05-16 EP disclosed
US-4808614-A Difluoro antivirals and intermediate therefor ELI LILLY AND COMPANY (US) 1989-02-28 US disclosed
EP-0122707-B1 IMPROVEMENTS IN OR RELATING TO NOVEL DIFLUORO ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1987-09-16 EP disclosed
US-4692434-A NUCLEOSIDES ELI LILLY AND COMPANY (US) 1987-09-08 US disclosed
EP-0184365-A2 Improvements in the treatment of tumors in mammals ELI LILLY AND COMPANY (US) 1986-06-11 EP disclosed
US-4526988-A Hydrolyzing alkyl 3-dioxolanyl-2,2-difluoro-3-hydroxy propionate ELI LILLY AND COMPANY (US) 1985-07-02 US disclosed
EP-0122707-A1 Improvements in or relating to novel difluoro antiviral agents ELI LILLY AND COMPANY (US) 1984-10-24 EP disclosed