SCHEMBL7280713

SCHEMBL7280713

[C]1CSCc2ccccc2S1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL3143 0.74 HTR2C (0.36) RYR2ALDH1A1
SCHEMBL2928 0.73
SCHEMBL2798929 0.69 MEN1 (0.34) RYR2MEN1ALDH1A1GAAKMT2A
SCHEMBL1120940 0.67 RYR2 (0.41) RYR2MEN1ALDH1A1GAAKMT2A
SCHEMBL654621 0.67
SCHEMBL884370 0.67 TSHR (0.42) RYR2
SCHEMBL121521 0.66
SCHEMBL7332054 0.66
SCHEMBL29965099 0.66
SCHEMBL832046 0.65 RYR2 (0.53) RYR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4638000-A HYPOTENSIVES, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-20 US claimed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US claimed
US-4739066-A HYPOTENSIVE AGENTS, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-19 US disclosed
US-4638000-A HYPOTENSIVES, ANGIOTENSIN INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-01-20 US disclosed
US-4591458-A ENZYME INHIBITORS; HYPOTENSIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-05-27 US disclosed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US disclosed
EP-0156455-A2 Condensed seven-membered ring compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-02 EP disclosed
EP-0135349-A1 Condensed seven-membered ring compounds and their production and use Takeda Chemical Industries, Ltd. (JP) 1985-03-27 EP disclosed