SCHEMBL22503155

SCHEMBL22503155

C=CC(=O)NS(=O)(=O)CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TGM2 P21980 1/20 0.33

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
SCHEMBL22503158 0.77
SCHEMBL4209727 0.76 CA2 (0.42) ALDH1A1
SCHEMBL1577089 0.76 ALDH1A1 (0.45) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL7693137 0.74 TSHR (0.42) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL4602455 0.72 CA1 (0.42) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL5131293 0.72 SMN1; SMN2 (0.32) TSHRMAPK1TDP1
SCHEMBL2155070 0.72 TSHR (0.41) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL3279249 0.72 TSHR (0.43) TSHRALDH1A1MAPK1TDP1TGM2
SCHEMBL4603325 0.71 TGFBR1 (0.35)
SCHEMBL3230946 0.70 TSHR (0.31) TSHR

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
US-10792489-B2 Bio-electrode composition, bio-electrode, and method for manufacturing the bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-10-06 US disclosed