SCHEMBL4950432

SCHEMBL4950432

CC(C)S(=O)(=O)Nc1ccccc1-c1ccc(-c2ccc(C(=O)O)cc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MCL1 Q07820 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
TTR P02766 1/20 0.43
PTK2B Q14289 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIA4 P48058 1/20 0.42
TSHR P16473 1/20 0.42
PTPRC P08575 2/20 0.42

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
SCHEMBL4951169 0.86 GRIA4 (0.51) TDP1ALOX5APFEN1ALDH1A1L3MBTL1
SCHEMBL4953785 0.86 ALOX5AP (0.55) TDP1ALOX5APFEN1LMNAKMT2A
SCHEMBL4950190 0.84 TDP1 (0.61) TDP1ALOX5APFEN1KDM4EALDH1A1
SCHEMBL4950018 0.83 TDP1 (0.51) TDP1ALOX5APFEN1LMNAMCL1
SCHEMBL4950547 0.83 TDP1 (0.47) TDP1ALOX5APFEN1MCL1TTR
SCHEMBL4950475 0.82 SRD5A2 (0.46) SRD5A2TDP1KDM4ETTRGRIA4
SCHEMBL4952635 0.81 TDP1 (0.50) SRD5A2TDP1ALOX5APFEN1KDM4E
SCHEMBL4953795 0.81 TDP1 (0.47) TDP1ALOX5APFEN1MCL1TTR
SCHEMBL4947747 0.79 TDP1 (0.53) TDP1ALOX5APFEN1KDM4EALDH1A1
SCHEMBL6513336 0.78 MCOLN3 (0.55) TDP1ALOX5APFEN1ALDH1A1L3MBTL1

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