SCHEMBL28080210

SCHEMBL28080210

NC(O)=S.NC(O)=S.OP(O)(O)=S.OP(O)(O)=S

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
ATR Q13535 1/20 0.42
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
PTGS2 P35354 1/20 0.31
HPGD P15428 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
SCHEMBL2295699 0.80 TSHR (0.62) TSHRATMATRALDH1A1HSD17B10
SCHEMBL367920 0.80 TSHR (0.62) TSHRATMATRALDH1A1HSD17B10
SCHEMBL21329 0.80
SCHEMBL26254 0.80
Carbamic Acid SCHEMBL28000124 0.78
SCHEMBL29162233 0.78 TSHR (0.39) TSHRATMATR
Phosphoric Acid SCHEMBL28562163 0.78 TSHR (0.39) TSHRATMATRALDH1A1HPGD
Carbamic Acid SCHEMBL2144222 0.78 ACHE (0.58) TSHRALDH1A1HPGD
SCHEMBL14674600 0.75
Methane SCHEMBL8838996 0.75 TSHR (0.56) TSHRATMATRALDH1A1HSD17B10

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
CN-105814179-A Organosiloxane compositions 道康宁公司 2016-07-27 CN disclosed