SCHEMBL9264994

SCHEMBL9264994

C=CC(=O)NOS(=O)(=O)C(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
TGM2 P21980 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
SCHEMBL1275466 0.86 TSHR (0.38) TSHRALDH1A1MAPK1TDP1ZDHHC20
Ammonia Solution, Strong SCHEMBL31438658 0.84 TSHR (0.37) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1628188 0.84 TSHR (0.37) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL27676451 0.81 TSHR (0.43) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL28018293 0.79 TSHR (0.42) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL28580791 0.79 TSHR (0.42) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL4673569 0.79 TSHR (0.38) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL28543124 0.78 TSHR (0.41) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL28633672 0.76 TSHR (0.39) TSHRTGM2
SCHEMBL28866456 0.76 TSHR (0.36) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676058-A1 ELECTROCHROMIC MATERIALS AND DISPLAYS MONSANTO COMPANY (US) 1995-10-11 EP disclosed
WO-1994015246-A2 ELECTROCHROMIC MATERIALS AND DISPLAYS MONSANTO COMPANY (US) 1994-07-07 WO disclosed