SCHEMBL4950640

SCHEMBL4950640

CC(C)S(=O)(=O)Nc1ccsc1-c1ccc(-c2ccc(C(=O)O)cc2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
PTGS1 P23219 3/20 0.38
GRIA4 P48058 1/20 0.38
PTGS2 P35354 6/20 0.38
TDP1 Q9NUW8 1/20 0.36
EGFR P00533 1/20 0.35
TTR P02766 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
SRD5A2 P31213 1/20 0.34
ACLY P53396 1/20 0.33
KDM5A P29375 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 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
SCHEMBL4950027 0.92 TDP1 (0.39) KDM4EPTGS1GRIA4PTGS2TDP1
SCHEMBL4950718 0.90 RARB (0.41) KDM4EPTGS1GRIA4PTGS2TDP1
SCHEMBL4950475 0.89 SRD5A2 (0.46) KDM4EPTGS1GRIA4TDP1TTR
SCHEMBL4945608 0.88 TDP1 (0.43) KDM4EPTGS1PTGS2TDP1NPSR1
SCHEMBL4953693 0.87 GRIA4 (0.49) KDM4EPTGS1GRIA4PTGS2SRD5A2
SCHEMBL4949007 0.86 GRM5 (0.36) KDM4EPTGS1GRIA4TDP1
SCHEMBL4952509 0.86 TDP1 (0.37) KDM4EPTGS1GRIA4PTGS2TDP1
SCHEMBL252191 0.85 TSHR (0.42) PTGS1GRIA4TDP1EGFRTTR
SCHEMBL27703688 0.84 TTR (0.41) KDM4EGRIA4PTGS2TDP1TTR
SCHEMBL4952472 0.84 F11 (0.35) KDM4EPTGS1GRIA4PTGS2TDP1

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