SCHEMBL6987422

SCHEMBL6987422

CNCc1cccc(-c2ccc(CN3C(=O)CSC3=O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.57
GSK3B P49841 3/20 0.57
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PRMT6 Q96LA8 7/20 0.46
PPARG P37231 1/20 0.44
EPHX2 P34913 1/20 0.41
PIM1 P11309 1/20 0.40
GFER P55789 1/20 0.38
TSHR P16473 1/20 0.38
PARP1 P09874 1/20 0.38
CARM1 Q86X55 1/20 0.37

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
SCHEMBL5457409 0.80 GSK3A (0.81) GSK3AGSK3BPOLBALDH1A1HDAC1
SCHEMBL5427372 0.77 GSK3A (0.54) GSK3AGSK3BPOLBALDH1A1HDAC1
SCHEMBL7252535 0.76 GSK3A (0.82) GSK3AGSK3BPOLBALDH1A1HDAC1
SCHEMBL338442 0.74 GSK3A (1.00) GSK3AGSK3BPOLBALDH1A1HDAC1
SCHEMBL7462946 0.72 GSK3A (0.67) GSK3AGSK3BPOLBALDH1A1HDAC1
SCHEMBL5455104 0.72 GSK3A (0.71) GSK3AGSK3BPOLBALDH1A1HDAC1
SCHEMBL7460972 0.72 GSK3A (0.67) GSK3AGSK3BPOLBALDH1A1HDAC1
SCHEMBL6692164 0.72 GSK3A (0.70) GSK3AGSK3BPOLBALDH1A1HDAC1
SCHEMBL6992265 0.71 GSK3A (0.79) GSK3AGSK3BPOLBALDH1A1HDAC1
SCHEMBL5454906 0.70 GSK3A (0.72) GSK3AGSK3BPOLBALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309575-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS Galderma Research & Development (FR) 2003-05-14 EP disclosed
WO-2002012210-A9 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RES & DEV (FR) 2002-04-18 WO disclosed
WO-2002012210-A1 BIPHENYL DERIVATIVES AND THEIR USE AS PPAR-GAMMA RECEPTOR ACTIVATORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-14 WO disclosed