SCHEMBL14022286

SCHEMBL14022286

C=C(C)C(=O)Nc1ccc(SN)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
BAZ1A Q9NRL2 1/20 0.43
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TMPRSS6 Q8IU80 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
FGFR1 P11362 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
SCHEMBL439393 0.84 RXFP1 (0.74) RXFP1TDP1L3MBTL1POLBRECQL
SCHEMBL14048853 0.81 IDO1 (0.37) RXFP1TDP1L3MBTL1KDM4EGAA
SCHEMBL19672881 0.81 SMN1; SMN2 (0.59) TDP1L3MBTL1POLBKDM4EGAA
SCHEMBL27405250 0.80 TDP1 (0.62) RXFP1TDP1L3MBTL1POLBRECQL
SCHEMBL3298240 0.79 RXFP1 (0.62) RXFP1TDP1L3MBTL1POLBRECQL
SCHEMBL201861 0.79 RXFP1 (0.54) RXFP1TDP1L3MBTL1POLBRECQL
SCHEMBL17084525 0.79 RXFP1 (0.67) RXFP1TDP1L3MBTL1POLBRECQL
Hydrochloric Acid SCHEMBL6673965 0.78 RXFP1 (0.61) RXFP1TDP1L3MBTL1POLBRECQL
SCHEMBL124216 0.77 RXFP1 (0.65) RXFP1TDP1L3MBTL1POLBRECQL
SCHEMBL959539 0.77 RXFP1 (0.65) RXFP1TDP1L3MBTL1POLBRECQL

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
WO-2008132091-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2008-11-06 WO disclosed