SCHEMBL4219785

SCHEMBL4219785

CC(C)Nc1nc(S(C)(=O)=O)nc(Cl)c1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 2/20 0.42
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK14 Q16539 7/20 0.36
HSD11B1 P28845 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 2/20 0.35
PTGS2 P35354 2/20 0.33
MAT2A P31153 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33
LIMK1 P53667 1/20 0.33
LIMK2 P53671 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
SCHEMBL2834616 0.81 GLP1R (0.40) GLP1RMEN1ALDH1A1LMNAHPGD
SCHEMBL4225977 0.76 HSP90AA1 (0.45) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL4231314 0.74 MAPK14 (0.36) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL4826868 0.74 GLP1R (0.42) GLP1RKDM4EALDH1A1LMNA
SCHEMBL4231053 0.71 CXCL8 (0.32) LMNAKMT2ACNR1MAT2ACNR2
SCHEMBL13114688 0.71 TRPV1 (0.35) GLP1RMEN1KMT2AMAPK14
SCHEMBL27826697 0.71 GLP1R (0.42) GLP1R
SCHEMBL4232192 0.71 EGLN1 (0.37) LMNAHPGDTSHR
SCHEMBL4225596 0.69 KMT2A (0.35) MEN1ALDH1A1MAPTKMT2ACNR1
SCHEMBL1617276 0.68 MAPK14 (0.73) MAPK14LIMK1LIMK2

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
EP-2092824-A1 Heterocyclyl pyrimidines Bayer CropScience AG (DE) 2009-08-26 EP disclosed