SCHEMBL14467697

SCHEMBL14467697

CCOCCCOc1ccc2c(N)c(-c3ccc(N)cc3)n(C3CCC3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.33
NFE2L2 Q16236 1/20 0.33
RAD51 Q06609 1/20 0.32
NCF1 P14598 2/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
GSK3B P49841 1/20 0.32
ROCK1 Q13464 1/20 0.32
PIK3CA P42336 3/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
TERT O14746 1/20 0.31
ABCB11 O95342 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
PRKCZ Q05513 1/20 0.31
PRKDC P78527 3/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL13153361 0.91 TDP1 (0.40) PRKACARPS6KB1GSK3BROCK1PIK3CA
SCHEMBL13051524 0.88 HRH3 (0.38) NFE2L2RAD51PRKACARPS6KB1GSK3B
SCHEMBL10097663 0.86 TDP1 (0.42) PIK3CALMNAMEN1TERTABCB11
SCHEMBL13051669 0.85 NCF1 (0.35) NCF1PIK3CALMNAPRKDCALDH1A1
SCHEMBL10097541 0.84 MEN1 (0.37) PRKACARPS6KB1ROCK1LMNAMEN1
SCHEMBL12487867 0.84 HRH3 (0.46)
SCHEMBL14466152 0.84 PRKACA (0.41) RAD51PRKACARPS6KB1GSK3BROCK1
SCHEMBL14466373 0.82 MEN1 (0.41) PRKACARPS6KB1GSK3BROCK1PIK3CA
SCHEMBL14466335 0.81 HTT (0.42) LMNAMEN1THRBKMT2ATSHR
SCHEMBL13052772 0.80 EPHX2 (0.40) PIK3CAMEN1KMT2ATDP1ALDH1A1

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-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed