SCHEMBL9568774

SCHEMBL9568774

C=CC(=O)Nc1ccc(CCC)cc1S(N)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.45
THRA P10827 1/20 0.45
CA2 P00918 6/20 0.42
METAP2 P50579 1/20 0.41
CA1 P00915 5/20 0.40
PTGES2 Q9H7Z7 2/20 0.39
EGFR P00533 2/20 0.38
RORC P51449 5/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
TGM2 P21980 1/20 0.38

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
SCHEMBL29733701 0.74 CA1 (0.59) CA2CA1CA12CA9TGM2
SCHEMBL964767 0.74 CA1 (0.59) CA2CA1CA12CA9TGM2
SCHEMBL9568484 0.73 THRA (0.39) THRBTHRACA2CA1EGFR
SCHEMBL12832351 0.72 THRB (0.77) THRBTHRAEGFRTGM2
SCHEMBL7903014 0.70 CA2 (0.55) CA2CA1PTGES2CA12CA9
SCHEMBL20259569 0.70 THRB (0.39) THRBTHRAMETAP2EGFRRORC
SCHEMBL16139300 0.69 TRPA1 (0.46) THRBTHRACA2CA1EGFR
SCHEMBL9568730 0.69 RORC (0.45) CA2CA1RORCCA12CA9
SCHEMBL2653162 0.69 METAP2 (0.47) CA2METAP2CA1CA12CA9
SCHEMBL1811889 0.68 TGM2 (0.50) TGM2

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
EP-0544264-A1 Light-sensitive composition FUJI PHOTO FILM CO., LTD. (JP) 1993-06-02 EP disclosed