SCHEMBL8853779

SCHEMBL8853779

CCOC(=O)C(C#N)C(C#N)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 3/20 0.36
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.31
POLB P06746 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL10535054 0.82 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL5524988 0.81 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7706526 0.81 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL411806 0.80 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL28515317 0.76 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL13858310 0.75 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL2783538 0.75 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6508549 0.75 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6925024 0.75 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL6925032 0.75 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493767-B1 Synergistic combination for treating herpes infections BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-03-19 EP disclosed
US-5484771-A RIBONUCLEOTIDE REDUCTASE INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-01-16 US disclosed
EP-0461546-B1 Antiherpes peptide derivatives having a 1,4-dioxo-C4 N-terminus BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-03-22 EP disclosed
US-5380727-A Antiviral nucleoside analog and a ribonucleotide reductase inhibiting peptide derivative BIO-MEGA, INC. (CA) 1995-01-10 US disclosed
EP-0493767-A2 Synergistic combination for treating herpes infections BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1992-07-08 EP disclosed
EP-0461546-A2 Antiherpes peptide derivatives having a 1,4-dioxo-C4 N-terminus BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-12-18 EP disclosed