SCHEMBL6754377

SCHEMBL6754377

Fc1cc[c]c2c1Cc1ccccc1S2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8073109 0.81 HPGD (0.37) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL29098855 0.74 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL2749161 0.74 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMEN1KMT2A
Fluoride SCHEMBL28542369 0.73 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL13113538 0.68 MEN1 (0.50) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL13113547 0.68 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL30551682 0.67 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL27942734 0.67 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4467765 0.67 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMEN1KMT2A
Thioxanthene SCHEMBL29398766 0.65 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EMEN1KMT2A

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-1485377-A1 PYRANONES USEFUL AS ATM INHIBITORS Kudos Pharmaceuticals Limited (GB) 2004-12-15 EP disclosed
WO-2003070726-A1 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARMACEUTICALS LTD (GB) 2003-08-28 WO disclosed