SCHEMBL9548670

SCHEMBL9548670

CC(=O)OC[C@@]1(C#N)O[C@](n2cnc3c(=O)[nH]c(N)nc32)([SiH](C)C)C[C@@H]1OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PNP P00491 3/20 0.35
HBB P68871 2/20 0.35
BLM P54132 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
EDNRA P25101 1/20 0.35
HTR2A P28223 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
HINT1 P49773 1/20 0.34
HPRT1 P00492 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
VCP P55072 1/20 0.33

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
SCHEMBL9548683 0.86 TAS1R3 (0.35) ADORA3
SCHEMBL9548775 0.81 ADORA3 (0.44) MEN1KMT2APNPHBBBLM
SCHEMBL9548605 0.81 ADORA3 (0.42) MEN1KMT2APNPHBBBLM
SCHEMBL9548732 0.81
SCHEMBL9548682 0.80
SCHEMBL9548845 0.79 ADORA3 (0.42) MEN1KMT2APNPHBBBLM
SCHEMBL9548751 0.79 ADORA3 (0.40) MEN1KMT2APNPHBBBLM
SCHEMBL9548762 0.78 ADORA3 (0.40) MEN1KMT2APNPHBBBLM
SCHEMBL9548667 0.77 ADORA3 (0.39) MEN1KMT2APNPHBBBLM
SCHEMBL9548623 0.74 ADORA3 (0.40) MEN1KMT2APNPHBBBLM

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
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed