SCHEMBL8542003

SCHEMBL8542003

O=C(O)C(=O)N(Cc1ccccc1)c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.55
GPR17 Q13304 2/20 0.50
FBP1 P09467 1/20 0.50
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4352566 0.87 GRIN1 (0.55) GRIN1GPR17FBP1MEN1LMNA
SCHEMBL8542076 0.79 GRIN1 (0.53) GRIN1GPR17FBP1MEN1LMNA
SCHEMBL4480896 0.77 GRIN1 (0.53) GRIN1GPR17FBP1MEN1LMNA
SCHEMBL4339236 0.75 ALOX15 (0.48) GRIN1CYP1A2
SCHEMBL9583009 0.74 GRIN1 (0.51) GRIN1GPR17FBP1MEN1LMNA
SCHEMBL8465056 0.73 GRIN1 (0.54) GRIN1GPR17FBP1MEN1LMNA
SCHEMBL4345218 0.72 MEN1 (0.54) GRIN1GPR17FBP1MEN1LMNA
SCHEMBL8543864 0.71 MEN1 (0.53) GRIN1GPR17FBP1MEN1LMNA
SCHEMBL8542245 0.71 GRIN1 (0.48) GRIN1GPR17FBP1MEN1LMNA
SCHEMBL4342125 0.71 GRIN1 (0.55) GRIN1GPR17FBP1MEN1LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
EP-0483881-B1 3-Amidoindolyl derivatives MERRELL PHARMA INC (US) 1998-01-21 EP disclosed
US-5491153-A 3-amidoindolyl derivative MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
EP-0483881-A1 3-Amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1992-05-06 EP disclosed