SCHEMBL27740914

SCHEMBL27740914

O=C(CCC(=O)SCc1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
IDO1 P14902 7/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL22499185 0.79 TDP1 (0.58) TDP1L3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL502066 0.78 TDP1 (0.45) TDP1L3MBTL1SMN1; SMN2IDO1CYP2C19
SCHEMBL20673370 0.75 ALDH1A1 (0.50) TDP1L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL20869833 0.75 SMN1; SMN2 (0.48) TDP1L3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16217874 0.75 ALDH1A1 (0.50) TDP1L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6937307 0.75 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL26315892 0.74 ALDH1A1 (0.49) TDP1L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1524413 0.74 CA12 (0.47) TDP1L3MBTL1IDO1ALDH1A1LMNA
SCHEMBL8003191 0.74 KMT2A (0.41) TDP1L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL20113451 0.73 L3MBTL1 (0.53) TDP1L3MBTL1IDO1CYP2C19KMT2A

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
CN-101415839-B Method for sequencing a polynucleotide template SOLEXA LTD 2012-06-27 CN disclosed
CN-101415839-A Method for sequencing a polynucleotide template SOLEXA LTD (GB) 2009-04-22 CN disclosed