SCHEMBL13344490

SCHEMBL13344490

CCc1nc2ccccc2n1CCCS(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
RECQL P46063 2/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 3/20 0.55
TP53 P04637 3/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.52
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL13301446 0.96 ALDH1A1 (0.59) TSHRRECQLMAPK1HTTALDH1A1
SCHEMBL20062852 0.86 TSHR (0.51) TSHRRECQLHTTALDH1A1TP53
SCHEMBL30399076 0.83 LMNA (0.58) TSHRHTTALDH1A1MAPTTP53
SCHEMBL14417368 0.82 TSHR (0.68) TSHRRECQLMAPK1MAPTTP53
SCHEMBL10647581 0.81 POLB (0.59) TSHRHTTALDH1A1GAAPOLB
SCHEMBL16213836 0.81 TSHR (0.65) TSHRHTTALDH1A1TP53SMN1; SMN2
SCHEMBL11201529 0.80 MAPT (0.66) TSHRRECQLMAPK1HTTMAPT
SCHEMBL31066866 0.80 TLR8 (0.68) TSHRRECQLMAPK1MAPTTP53
SCHEMBL31066873 0.80 TLR8 (0.68) TSHRRECQLMAPK1MAPTTP53
SCHEMBL7745194 0.80 SMN1; SMN2 (0.59) TSHRMAPK1HTTALDH1A1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709550-B2 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORPORATION (JP) 2010-05-04 US disclosed
US-7219988-B2 Water-soluble phthalocyanine compound-containing ink for ink jetting, ink jet recording method and method for improving ozone gas discoloration of colored image material FUJI PHOTO FILM CO., LTD. (JP) 2007-05-22 US disclosed
US-20070052790-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJI PHOTO FILM CO., LTD. 2007-03-08 US disclosed