SCHEMBL11158985

SCHEMBL11158985

O=c1c2ccc(F)cc2sc2ccc(C(F)(F)F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.40
TLR9 Q9NR96 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ESR1 P03372 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MIF P14174 1/20 0.38
PGR P06401 2/20 0.37
BACE1 P56817 1/20 0.37
BCKDK O14874 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
EPM2A O95278 1/20 0.37
PTPN2 P17706 1/20 0.37

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
SCHEMBL16421246 0.87 G6PD (0.47) G6PDTLR9KDM4EALDH1A1MAPT
SCHEMBL11574705 0.85 KDM4E (0.47) G6PDTLR9KDM4EALDH1A1MAPT
SCHEMBL11153439 0.84 KIF11 (0.49) G6PDTLR9KDM4EALDH1A1MAPT
SCHEMBL2810528 0.83 KDM4E (0.58) G6PDTLR9KDM4EALDH1A1MAPT
SCHEMBL30369262 0.83 KDM4E (0.58) G6PDTLR9KDM4EALDH1A1MAPT
SCHEMBL4514959 0.82 ALDH1A1 (0.52) G6PDKDM4EALDH1A1MAPTLMNA
SCHEMBL31344216 0.82 ALDH1A1 (0.52) G6PDKDM4EALDH1A1MAPTLMNA
SCHEMBL4731621 0.78 KDM4E (0.47) KDM4EALDH1A1MAPTLMNAPOLB
SCHEMBL29441239 0.78 KDM4E (0.61) G6PDTLR9KDM4EMAPTLMNA
SCHEMBL472579 0.78 KDM4E (0.61) G6PDTLR9KDM4EMAPTLMNA

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-0005607-B1 XANTHONE AND THIOXANTHONE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KEFALAS A/S (DK) 1983-10-26 EP disclosed