SCHEMBL8007121

SCHEMBL8007121

C=CS(=O)(=O)C(=C)CC(=O)NCNC(=O)CC(=C)S(=O)(=O)C=C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3844079 0.87 TSHR (0.30) TSHRALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL3907662 0.76 ALDH1A1 (0.32) TSHRALDH1A1MAPK1TDP1
SCHEMBL1939866 0.71 TSHR (0.41) TSHRALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL6555303 0.71
SCHEMBL2816085 0.68 TSHR (0.38) TSHRALDH1A1MAPK1TDP1SMN1; SMN2
SCHEMBL11329415 0.67 TSHR (0.34) TSHRSMN1; SMN2MAPT
SCHEMBL11340179 0.65 ENPP2 (0.35) TSHRSMN1; SMN2MAPT
SCHEMBL11328340 0.65 ENPP2 (0.35) TSHRSMN1; SMN2MAPT
SCHEMBL13137604 0.64 ALDH1A1 (0.59) TSHRALDH1A1MAPK1TDP1
SCHEMBL13101249 0.64 TSHR (0.67) TSHRALDH1A1MAPK1TDP1

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-6013423-A SILVER HALIDE PHOTOGRAPHIC MATERIAL, DEVELOPMENT AND SIX MEMBERED RING AND MERCAPTO, HYDROXYL OR OTHER GROUP ON HETERO CYCLIC COPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 2000-01-11 US disclosed