SCHEMBL4593069

SCHEMBL4593069

CCCc1c(N)cc(Cl)c(C(N)=O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SIRT1 Q96EB6 1/20 0.35
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
RIPK2 O43353 1/20 0.32
LDHA P00338 2/20 0.32
LDHB P07195 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 3/20 0.30
KDM4E B2RXH2 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
PGK1 P00558 1/20 0.30
IKBKB O14920 1/20 0.30

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
SCHEMBL9017615 0.87 SIRT1 (0.35) LMNAHTTSIRT1POLBRIPK2
SCHEMBL9017622 0.77 POLB (0.35) LMNAHTTSIRT1POLBRIPK2
SCHEMBL8732692 0.75 SIRT1 (0.36) LMNASIRT1TSHRRIPK2ALDH1A1
SCHEMBL9017621 0.72 IKBKB (0.39) LMNAHTTPOLBRIPK2IKBKB
SCHEMBL28068800 0.70 POLB (0.39) HTTSIRT1POLBLDHALDHB
SCHEMBL8083612 0.69 GAA (0.34) LMNAHTTSIRT1POLBTSHR
SCHEMBL10495743 0.69 GPR17 (0.39)
SCHEMBL21236340 0.69 POLB (0.38) LMNASIRT1POLBTSHRRIPK2
SCHEMBL3352707 0.68 ALDH1A1 (0.41) LMNAHTTSIRT1POLBTSHR
Hydrochloric Acid SCHEMBL8075471 0.68 GAA (0.33) LMNAHTTSIRT1POLBTSHR

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-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed