SCHEMBL2186248

SCHEMBL2186248

COC(=O)Oc1ccsc1C(=O)N(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
EDNRA P25101 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
SCHEMBL2186765 0.87 KMT2A (0.43) KDM4EHTTEDNRAL3MBTL1KMT2A
SCHEMBL2189405 0.77 KDM4E (0.49) KDM4EHTTEDNRAL3MBTL1KMT2A
SCHEMBL2187905 0.74 L3MBTL1 (0.49) KDM4EL3MBTL1KMT2AMEN1POLB
SCHEMBL2186762 0.73 POLB (0.50) KDM4EHPGDHTTEDNRAKMT2A
SCHEMBL5728136 0.72 KDM4E (0.50) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL2185778 0.70 POLB (0.54) KDM4EHPGDHTTEDNRAKMT2A
SCHEMBL2185780 0.70 POLB (0.50) KDM4EHTTKMT2AMEN1POLB
SCHEMBL2188985 0.69 KMT2A (0.39) HPGDHTTL3MBTL1KMT2AMEN1
SCHEMBL765304 0.69 KDM4E (0.44) KDM4EHPGDHSD17B10HTTKMT2A
SCHEMBL7613287 0.69 EDNRA (0.53) KDM4EHTTEDNRAL3MBTL1KMT2A

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-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP claimed