SCHEMBL3206052

SCHEMBL3206052

CC(C)(C)c1c(C(=O)O)sc(S(C)(=O)=O)c1C#N

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 11/20 0.61
GRIA2 P42262 6/20 0.61
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
FNTA P49354 5/20 0.31
FNTB P49356 5/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL5731532 0.78 GRIA4 (0.53) GRIA4GRIA2LMNAALDH1A1MAPK1
SCHEMBL3404253 0.78 GRIA4 (0.53) GRIA4GRIA2LMNAALDH1A1MAPK1
SCHEMBL3126306 0.76 GRIA4 (1.00) GRIA4GRIA2FNTAFNTBKMT2A
SCHEMBL4422079 0.76 GRIA4 (0.51) GRIA4GRIA2LMNAALDH1A1MAPK1
SCHEMBL1552287 0.68 GRIA2 (0.43) GRIA4GRIA2ALDH1A1MAPK1
SCHEMBL3404543 0.67 GRIA2 (0.42) GRIA4GRIA2ALDH1A1MAPK1KMT2A
SCHEMBL3131405 0.66 GRIA4 (0.79) GRIA4GRIA2MAPK1FNTAFNTB
SCHEMBL6796039 0.65 ALDH1A1 (0.58) GRIA4GRIA2LMNAALDH1A1MAPK1
SCHEMBL3135115 0.61 GRIA4 (0.49) GRIA4GRIA2ALDH1A1MAPK1KMT2A
SCHEMBL3816299 0.60 ALDH1A1 (0.44) GRIA4GRIA2LMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed