SCHEMBL14130475

SCHEMBL14130475

S=C(SCc1ccc(CSC(=S)n2cccc2)cc1)n1cccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.48
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NOS1 P29475 2/20 0.40
IDO1 P14902 13/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
SLC11A2 P49281 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
VHL P40337 1/20 0.32
ELOC Q15369 1/20 0.32
ELOB Q15370 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
SCHEMBL307496 0.92 CA12 (0.53) FBP1CA12CA1CA2CA9
SCHEMBL22625806 0.79 TAAR1 (0.54) FBP1IDO1SLC11A2TDP1L3MBTL1
SCHEMBL19257802 0.73 FBP1 (0.56) FBP1
SCHEMBL25203952 0.72 IDO1 (0.36) CA12CA1CA2CA9NOS1
SCHEMBL165635 0.72 CA12 (0.45) CA12CA1CA2CA9NOS1
SCHEMBL19468030 0.71 CYP11B1 (0.49)
SCHEMBL14456682 0.71 FBP1 (0.48) FBP1
SCHEMBL19468243 0.70 CYP19A1 (0.46) IDO1L3MBTL1
SCHEMBL19494534 0.70 CYP11B1 (0.42) IDO1
SCHEMBL4147112 0.69 CA12 (0.42) CA12CA1CA2CA9NOS1

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
US-7399801-B2 Curable composition KANEKA CORPORATION (JP) 2008-07-15 US disclosed
US-7399801-B2 Curable composition KANEKA CORPORATION (JP) 2008-07-15 US disclosed
US-20070249747-A1 Process for Producing Polymer-Modified Nanoparticle KANEKA CORPORATION (JP) 2007-10-25 US disclosed