SCHEMBL18922358

SCHEMBL18922358

CCCCCCC(CCCCC)c1ccncc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1I2 O75469 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
NAAA Q02083 1/20 0.33
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
PTAFR P25105 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TBXAS1 P24557 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
SCHEMBL18922343 1.00 TDP1 (0.38) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL19133214 0.98 TDP1 (0.37) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL20626584 0.98 TDP1 (0.39) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL18635979 0.87 TDP1 (0.38) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL18855230 0.87 TDP1 (0.38) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL23869499 0.82 TDP1 (0.37) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL20940171 0.82 TDP1 (0.37) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL21142338 0.82 TDP1 (0.37) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL20621443 0.82 TDP1 (0.37) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL22260423 0.80 AOC1 (0.38) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1

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
US-9669032-B2 Enhanced treatment regimens using mTOR inhibitors INTELLIKINE LLC (US) 2017-06-06 US disclosed