SCHEMBL6265359

SCHEMBL6265359

CCC=CCS(=O)(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 5/20 0.48
HSD17B10 Q99714 4/20 0.48
HPGD P15428 4/20 0.48
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
KCNA5 P22460 2/20 0.47
CLCN2 P51788 1/20 0.46
POLB P06746 1/20 0.45
WDR5 P61964 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL222372 0.84 KCNA5 (0.61) ALDH1A1KMT2AHSD17B10HPGDMEN1
SCHEMBL6259858 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AHSD17B10HPGDMEN1
SCHEMBL1492018 0.80 KCNA5 (0.64) ALDH1A1KMT2AHSD17B10HPGDMEN1
SCHEMBL13743071 0.78
SCHEMBL8609056 0.77
SCHEMBL28167088 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AHSD17B10HPGDMEN1
SCHEMBL5324455 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AHSD17B10HPGDMEN1
SCHEMBL31518625 0.76 KMT2A (0.50) ALDH1A1KMT2AHSD17B10HPGDMEN1
SCHEMBL30585369 0.75
SCHEMBL894866 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005030709-A1 NOVEL SULFONE AMIDE DERIVATIVES CAPABLE OF INHIBITING BACE LG LIFE SCIENCES LTD. (KR) 2005-04-07 WO claimed