SCHEMBL4466915

SCHEMBL4466915

O=C=NC(I)CCCCCN=C=S

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.44
MIF P14174 4/20 0.44
GSK3B P49841 1/20 0.42
TRPA1 O75762 8/20 0.40
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
BACH1 O14867 1/20 0.39
MAFK O60675 1/20 0.39
EGFR P00533 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL15056571 0.89
SCHEMBL3906746 0.75 NAAA (0.58) NAAAMIFGSK3BTRPA1KEAP1
SCHEMBL332767 0.75 NAAA (0.58) NAAAMIFGSK3BTRPA1KEAP1
SCHEMBL332468 0.75 NAAA (0.58) NAAAMIFGSK3BTRPA1KEAP1
SCHEMBL3906512 0.73 MIF (0.54) NAAAMIFGSK3BTRPA1KEAP1
SCHEMBL2141351 0.72 NAAA (0.50) NAAAMIFGSK3BTRPA1KEAP1
SCHEMBL330913 0.72 NAAA (0.74) NAAAMIFGSK3BTRPA1KEAP1
SCHEMBL7133119 0.72 NAAA (0.74) NAAAMIFGSK3BTRPA1KEAP1
SCHEMBL1999782 0.72 NAAA (0.74) NAAAMIFGSK3BTRPA1KEAP1
SCHEMBL1233523 0.72 NAAA (0.74) NAAAMIFGSK3BTRPA1KEAP1

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
WO-2009038937-A1 TINTED ARTICLE HAVING A HIGH REFRACTIVE INDEX PPG INDUSTRIES OHIO, INC. (US) 2009-03-26 WO disclosed