SCHEMBL6952064

SCHEMBL6952064

CCC(N)(CC)CCN=C=S

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TRPA1 O75762 9/20 0.35
MIF P14174 3/20 0.32
BACH1 O14867 1/20 0.32
MAFK O60675 1/20 0.32
EGFR P00533 1/20 0.32
PTGS2 P35354 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
GSK3B P49841 1/20 0.31

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
SCHEMBL28003206 0.77
SCHEMBL6949604 0.77
SCHEMBL6950047 0.76
SCHEMBL28818345 0.76 NAAA (0.34) NAAAALDH1A1LMNATP53TRPA1
SCHEMBL4648931 0.76 CYP1A2 (0.41)
Hydrochloric Acid SCHEMBL7378891 0.76
Hydrochloric Acid SCHEMBL4485364 0.74 CYP1A2 (0.39)
SCHEMBL13623248 0.72 TRPA1 (0.43) NAAAALDH1A1LMNATP53TRPA1
SCHEMBL20198780 0.70
SCHEMBL18784094 0.68 TSHR (0.33) ALDH1A1

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-0808829-B1 Fluorescent group-containing carbodiimide compound NISSHIN SPINNING (JP) 2003-04-09 EP disclosed
US-5856479-A LABEL FOR NUCLEIC ACID DETECTION, IMMUNOASSAY OR CHEMILUMINESCENCE NISSHINBO INDUSTRIES, INC. (JP) 1999-01-05 US disclosed
EP-0808829-A1 Fluorescent group-containing carbodiimide compound NISSHINBO INDUSTRIES, INC. (JP) 1997-11-26 EP disclosed