SCHEMBL9716018

SCHEMBL9716018

O=C(O)c1ccccc1SCc1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRG P23470 3/20 0.68
CYP1A2 P05177 2/20 0.53
RAB9A P51151 6/20 0.51
PRNP P04156 1/20 0.51
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
PTPRC P08575 1/20 0.46
MEN1 O00255 1/20 0.45
SOX18 P35713 1/20 0.45
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
DAO P14920 1/20 0.44

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
SCHEMBL7389895 0.87 PTPRG (0.51) PTPRGCYP1A2POLBKMT2AGAA
SCHEMBL1901284 0.82 PTPRG (0.67) PTPRGCYP1A2RAB9APRNPPOLB
SCHEMBL4741951 0.78 PTPRG (0.62) PTPRGCYP1A2RAB9APRNPPOLB
SCHEMBL13802463 0.78 PTPRG (0.70) PTPRGCYP1A2RAB9APRNPKMT2A
SCHEMBL6290570 0.78 RAB9A (0.67) PTPRGCYP1A2RAB9APRNPKMT2A
SCHEMBL16670764 0.76 TSHR (0.63) CYP1A2HCAR2SOX18
SCHEMBL9716027 0.75 HCAR2 (0.43) PTPRGCYP1A2RAB9AKMT2AHCAR2
SCHEMBL15143209 0.75 CYP1A2 (0.65) PTPRGCYP1A2RAB9APRNPPOLB
SCHEMBL4021020 0.75 KDR (0.60) PTPRGCYP1A2RAB9APRNPPOLB
SCHEMBL8433852 0.75 PTPRG (0.58) PTPRGCYP1A2RAB9APRNPPOLB

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-5147752-A Crosslinked binder FUJI PHOTO FILM CO., LTD. (JP) 1992-09-15 US disclosed