SCHEMBL4950017

SCHEMBL4950017

CC(C)S(=O)(=O)Nc1ccsc1-c1ccc(-c2ccc(C#N)cc2C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 5/20 0.39
PTGS1 P23219 1/20 0.38
XDH P47989 2/20 0.36
SLC22A12 Q96S37 2/20 0.36
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
MMP7 P09237 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
MCL1 Q07820 1/20 0.33
ACLY P53396 1/20 0.33
ADAMTS4 O75173 1/20 0.33
PTGS2 P35354 2/20 0.33
CCR2 P41597 1/20 0.32

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
SCHEMBL4951303 0.83 GRIA2 (0.49) PTGS1GRIA1GRIA2GRIA3GRIA4
SCHEMBL4951505 0.82 PTGS1 (0.38) PTGS1SLC22A12GRIA1GRIA2GRIA3
SCHEMBL4949007 0.82 GRM5 (0.36) PTGS1XDHGRIA4
SCHEMBL4952472 0.80 F11 (0.35) PTGS1XDHGRIA4PTGS2
SCHEMBL4950027 0.79 TDP1 (0.39) PTGS1GRIA4ACLYPTGS2
SCHEMBL4951510 0.78 PTGS1 (0.40) PTGS1SLC22A12GRIA1GRIA2GRIA3
SCHEMBL27724208 0.78 ACLY (0.42) MCL1ACLYPTGS2
SCHEMBL4950640 0.78 KDM4E (0.43) PTGS1GRIA4ACLYPTGS2
SCHEMBL4952527 0.78 PTGS2 (0.36) PTGS1XDHPTGS2
SCHEMBL4950102 0.77 PTGS1 (0.41) PTGS1SMN1; SMN2PTGS2

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