SCHEMBL2189405

SCHEMBL2189405

COC(=O)c1ccsc1C(=O)N(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
EDNRA P25101 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2187905 0.88 L3MBTL1 (0.49) KDM4EKMT2ALMNATSHRALDH1A1
SCHEMBL2186762 0.84 POLB (0.50) KDM4EKMT2AALDH1A1POLBEDNRA
SCHEMBL2185778 0.78 POLB (0.54) KDM4EKMT2ALMNAALDH1A1POLB
SCHEMBL1974763 0.77 KDM4E (0.51) KDM4EKMT2ALMNAALDH1A1L3MBTL1
SCHEMBL2186248 0.77 KDM4E (0.44) KDM4EKMT2ALMNATSHRALDH1A1
SCHEMBL70575 0.77 KMT2A (0.56) KDM4EKMT2ALMNAALDH1A1L3MBTL1
SCHEMBL2186765 0.75 KMT2A (0.43) KDM4EKMT2ATSHRL3MBTL1POLB
SCHEMBL2185780 0.75 POLB (0.50) KDM4EKMT2ALMNATSHRPOLB
SCHEMBL17873718 0.74 KMT2A (0.50) KDM4EKMT2ATSHRL3MBTL1POLB
SCHEMBL2467203 0.73 HTT (0.64) KDM4EKMT2ATSHRALDH1A1L3MBTL1

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