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Sugi Predict / Compounds / SCHEMBL6282203

SCHEMBL6282203

SCHEMBL6282203

CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(CCSc2nc3cccc(S(C)(=O)=O)c3o2)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 13/20 0.73
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6282995 0.88 SOAT1 (0.74) SOAT1MEN1KMT2ATDP1
SCHEMBL6282647 0.87 SOAT1 (0.77) SOAT1MEN1KMT2ATDP1
SCHEMBL6284053 0.87 SOAT1 (0.75) SOAT1
SCHEMBL6284794 0.87 SOAT1 (0.75) SOAT1MEN1KMT2ATDP1
SCHEMBL6279638 0.85 SOAT1 (0.73) SOAT1
SCHEMBL5623843 0.85 SOAT1 (0.73) SOAT1
SCHEMBL6280341 0.85 SOAT1 (1.00) SOAT1
SCHEMBL6282071 0.85 SOAT1 (0.72) SOAT1MEN1KMT2ATDP1
SCHEMBL6281000 0.85 SOAT1 (0.72) SOAT1
SCHEMBL6284652 0.82 SOAT1 (0.68) SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 — — US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 — — EP disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 — — EP disclosed