SCHEMBL3812436

SCHEMBL3812436

Cc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C=CC(=O)O)cc3)sc2OC(=O)O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL3816881 0.87 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL2158136 0.86 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL2158138 0.86 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL3812581 0.86 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10KDM4EL3MBTL1
SCHEMBL3812630 0.85 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10KDM4EL3MBTL1
SCHEMBL3816838 0.85 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL3810022 0.85 MEN1 (0.48) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL3809030 0.84 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10KDM4EPOLB
SCHEMBL3808147 0.84 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10KDM4EL3MBTL1
SCHEMBL3807592 0.83 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10KDM4EMEN1

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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed