SCHEMBL2331157

SCHEMBL2331157

C=CC(=O)NCS(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
TGM2 P21980 3/20 0.39
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PSMB11 A5LHX3 1/20 0.30
PSMA7 O14818 1/20 0.30
PSMB1 P20618 1/20 0.30
PSMA1 P25786 1/20 0.30
PSMA2 P25787 1/20 0.30
PSMA3 P25788 1/20 0.30
PSMA4 P25789 1/20 0.30
PSMB8 P28062 1/20 0.30
PSMB9 P28065 1/20 0.30
PSMA5 P28066 1/20 0.30
PSMB4 P28070 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
SCHEMBL20923 0.79 TSHR (0.54) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL15948473 0.78 ZDHHC20 (0.50) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL28293126 0.77 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL11598614 0.77 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL15871533 0.77 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL3660461 0.76 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Potassium Ion SCHEMBL3662730 0.76 TSHR (0.50) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL8091637 0.75 ZDHHC20 (0.47) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL16329954 0.75 TSHR (0.45) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL6686454 0.74 TSHR (0.48) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011099764-A2 NOVEL PYRIMIDINE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI HOLDINGS CO., LTD. (KR) 2011-08-18 WO disclosed
EP-1794823-A2 MULTI-LAYER POLYELECTROLYTE MEMBRANE Arkema Inc. (US) 2007-06-13 EP disclosed
WO-2006019508-A2 MULTI-LAYER POLYELECTROLYTE MEMBRANE ARKEMA INC. (US) 2006-02-23 WO disclosed
EP-0029168-A1 Polymers, process for their preparation and their use in preparing photographic emulsions and photographic materials Agfa-Gevaert AG (DE) 1981-05-27 EP disclosed