Sugi Predict

Sugi Predict / Compounds / SCHEMBL4374946

SCHEMBL4374946

SCHEMBL4374946

C#CN(CC)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADH1A P07327 4/20 0.42
▸ ADH1C P00326 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.32
▸ PHGDH O43175 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ SHBG P04278 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
SCHEMBL7117728 0.80 ADH1A (0.44) ADH1AADH1C
SCHEMBL9660966 0.77 ADH1A (0.47) ADH1AADH1CALDH1A1PHGDHL3MBTL1
SCHEMBL9660578 0.77 ADH1A (0.47) ADH1AADH1CALDH1A1PHGDHL3MBTL1
SCHEMBL13158946 0.77 ADH1A (0.42) ADH1AADH1CALDH1A1PHGDHL3MBTL1
SCHEMBL302802 0.77 ADH1A (0.47) ADH1AADH1CALDH1A1PHGDHL3MBTL1
SCHEMBL8880509 0.77 ADH1A (0.40) ADH1AADH1C
SCHEMBL967214 0.74 ADH1A (0.43) ADH1AADH1CL3MBTL1
SCHEMBL969251 0.71 — —
SCHEMBL7139255 0.70 ADH1A (0.39) ADH1AADH1CALDH1A1
SCHEMBL9790337 0.69 ADH1A (0.46) ADH1AADH1CALDH1A1PHGDHSHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018385-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 — — EP disclosed
WO-2007115929-A1 THIAZOLYL-DIHYDROQUINAZOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 — — WO disclosed