SCHEMBL7844613

SCHEMBL7844613

CCC/C=C1/SC(=O)N(CCCCSc2cccc3ncc(CN(C)C)n23)C1=O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 1/20 0.36
▸ CISD1 Q9NZ45 2/20 0.32

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
SCHEMBL7844616 1.00 SPHK2 (0.36) SPHK2CISD1
Hydrochloric Acid SCHEMBL7845118 0.99 SPHK2 (0.35) SPHK2CISD1
Hydrochloric Acid SCHEMBL7845116 0.99 SPHK2 (0.35) SPHK2CISD1
SCHEMBL7847716 0.86 SPHK2 (0.38) SPHK2CISD1
SCHEMBL7847718 0.86 SPHK2 (0.38) SPHK2CISD1
Hydrochloric Acid SCHEMBL7844091 0.85 SPHK2 (0.37) SPHK2CISD1
Hydrochloric Acid SCHEMBL7844089 0.85 SPHK2 (0.37) SPHK2CISD1
SCHEMBL7845758 0.81 SPHK2 (0.35) SPHK2CISD1
SCHEMBL7845760 0.81 SPHK2 (0.35) SPHK2CISD1
Hydrochloric Acid SCHEMBL7847128 0.81 SPHK2 (0.34) SPHK2CISD1

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
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 — — EP claimed
EP-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 — — EP disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 — — EP disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 — — WO disclosed
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