SCHEMBL496358

SCHEMBL496358

Cc1cc(C#N)c(N[C@H]2CCCC[C@@H]2N(C(=O)O)C(C)(C)C)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.36
RPS6KA3 P51812 2/20 0.36
SRPK1 Q96SB4 2/20 0.36
PGR P06401 3/20 0.32
NR3C2 P08235 3/20 0.32
AR P10275 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 8/20 0.32
NR3C1 P04150 1/20 0.31
IKBKB O14920 1/20 0.31
AURKA O14965 1/20 0.31
DCLK1 O15075 1/20 0.31
RPS6KA5 O75582 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 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
SCHEMBL495955 0.94 MEN1 (0.33) CHEK1RPS6KA3SRPK1PGRNR3C2
SCHEMBL495857 0.92 MEN1 (0.31) CHEK1RPS6KA3SRPK1ALDH1A1MEN1
SCHEMBL495888 0.85 MEN1 (0.41) PGRNR3C2ARALDH1A1MEN1
SCHEMBL496465 0.85 MEN1 (0.41) PGRNR3C2ARALDH1A1MEN1
SCHEMBL496194 0.81 CHEK1 (0.40) CHEK1RPS6KA3SRPK1PGRNR3C2
SCHEMBL496119 0.75 FER (0.39) CHEK1RPS6KA3SRPK1PGRNR3C2
SCHEMBL4368419 0.73 FER (0.36) CHEK1RPS6KA3SRPK1PGRNR3C2
SCHEMBL14976231 0.71 JAK3 (0.42) CHEK1RPS6KA3SRPK1
SCHEMBL17745697 0.71 JAK2 (0.33) AR
SCHEMBL496442 0.71 FER (0.34) CHEK1RPS6KA3SRPK1PGRNR3C2

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-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed