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Sugi Predict / Compounds / SCHEMBL7804480

SCHEMBL7804480

SCHEMBL7804480

CN(CCO)S(=O)(=O)c1ccc2c(c1)C(Cl)(Cl)C(=O)N2.CN(CCc1ccncc1)S(=O)(=O)c1ccc2c(c1)C(Cl)(Cl)C(=O)N2.COCC1CCCN1S(=O)(=O)c1ccc2c(c1)C(Cl)(Cl)C(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 19/20 0.49
▸ CASP7 P55210 14/20 0.49
▸ CASP9 P55211 1/20 0.49
▸ CASP1 P29466 4/20 0.42
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL6947728 0.82 CASP3 (0.68) CASP3CASP7CASP9CASP1
SCHEMBL8307728 0.82 CASP3 (0.68) CASP3CASP7CASP9CASP1
SCHEMBL6949029 0.79 PKLR (0.42) CASP3NAMPT
SCHEMBL8307047 0.74 CASP3 (0.49) CASP3CASP7CASP9CASP1
SCHEMBL6954700 0.74 CASP3 (0.49) CASP3CASP7CASP9CASP1
SCHEMBL6950459 0.74 KMT2A (0.48) CASP3NAMPT
SCHEMBL7440426 0.71 CASP3 (0.51) CASP3CASP7CASP9CASP1
SCHEMBL5339051 0.70 CASP3 (0.66) CASP3CASP7CASP9CASP1
SCHEMBL5333108 0.70 CASP3 (0.62) CASP3CASP7CASP9CASP1
SCHEMBL5337430 0.70 CASP3 (0.62) CASP3CASP7CASP9CASP1

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
EP-0988035-A4 CASPASES AND APOPTOSIS SMITHKLINE BECKMAN CORP (US) 2001-09-19 — — EP claimed
EP-0988035-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-29 — — EP claimed
WO-1999006042-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 — — WO claimed