SCHEMBL4950448

SCHEMBL4950448

CC(=O)Nc1ccc(-c2ccc(-c3ccncc3NS(=O)(=O)C(C)C)cc2)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
AAK1 Q2M2I8 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
CIT O14578 1/20 0.38
SLC22A12 Q96S37 3/20 0.38
BLM P54132 1/20 0.38
WRN Q14191 1/20 0.38
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 1/20 0.37
CKS1B P61024 2/20 0.36
SKP2 Q13309 2/20 0.36
PLA2G7 Q13093 2/20 0.36
JAK2 O60674 1/20 0.36
IGF1R P08069 1/20 0.36
PDGFRB P09619 1/20 0.36
MAPT P10636 1/20 0.36
KIT P10721 1/20 0.36
PIM1 P11309 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL4947733 0.84 XDH (0.40) GSK3AGSK3BSLC22A12MAPT
SCHEMBL4949577 0.81 ALDH1A1 (0.42) ALDH1A1PLA2G7MAPTMEN1KMT2A
SCHEMBL7020948 0.71 ALDH1A1 (0.57) ALDH1A1PLA2G7MAPTMEN1POLB
SCHEMBL4950547 0.69 TDP1 (0.47)
SCHEMBL4950459 0.68 GRIA2 (0.54) ALDH1A1PIP4K2APIP4K2BMAPTMEN1
SCHEMBL27724211 0.68 CYP17A1 (0.43) GSK3AGSK3BMAPT
SCHEMBL4951186 0.65 ALOX5AP (0.39) GSK3AGSK3BSLC22A12JAK2MAPT
SCHEMBL4951215 0.65 PTGS2 (0.42) ALDH1A1MAPTMEN1KMT2A
SCHEMBL4949007 0.65 GRM5 (0.36)
SCHEMBL4950102 0.64 PTGS1 (0.41) ALDH1A1MEN1POLBKMT2A

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-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed