SCHEMBL8290343

SCHEMBL8290343

COC(=O)c1c(N)sc(C(=O)Nc2ccc(C)cc2C)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CISD2 Q8N5K1 19/20 1.00
ALDH1A1 P00352 1/20 0.70
HPGD P15428 1/20 0.70
ALOX15 P16050 1/20 0.70
HSD17B10 Q99714 1/20 0.70

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
SCHEMBL30300675 1.00 CISD2 (1.00) CISD2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25106684 0.90 CISD2 (1.00) CISD2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30300580 0.89 CISD2 (1.00) CISD2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30300643 0.88 CISD2 (0.79) CISD2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25106686 0.88 CISD2 (1.00) CISD2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25106683 0.88 CISD2 (1.00) CISD2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25106673 0.88 CISD2 (1.00) CISD2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30300644 0.88 CISD2 (1.00) CISD2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL30278954 0.88 CISD2 (1.00) CISD2ALDH1A1HPGDALOX15HSD17B10
SCHEMBL25106671 0.85 CISD2 (1.00) CISD2

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
WO-2023028117-A1 METHODS OF TREATING CDGSH IRON SULFUR DOMAIN 2 INSUFFICIENCY-ASSOCIATED DISORDERS YEH, TENG-KUANG (US) 2023-03-02 WO disclosed
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed