SCHEMBL4655348

SCHEMBL4655348

O=C1CSC(=S)N1CCC1COCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.42
RECQL P46063 3/20 0.42
GSK3A P49840 8/20 0.41
GSK3B P49841 8/20 0.41
GAA P10253 4/20 0.40
PAX8 Q06710 1/20 0.35
MAPT P10636 2/20 0.33
THRB P10828 2/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.30

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
SCHEMBL17525625 0.76 NLRP3 (0.36) MEN1KMT2APOLB
SCHEMBL3062340 0.71 GSK3A (0.62) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL4579359 0.68 GSK3A (0.59) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL4579816 0.68 GSK3A (0.49) MEN1KMT2AALDH1A1RECQLGSK3A
Morpholine SCHEMBL4579822 0.68 GSK3A (0.44) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL3081982 0.65 MEN1 (0.51) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL3138532 0.65 GSK3A (0.56) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL196538 0.64
SCHEMBL8415763 0.64
SCHEMBL9658020 0.64 ARG1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1688466-B1 Ink composition, ink jet recording method, printed material, method of producing planographic printing plate, and planographic printing plate FUJIFILM CORP (JP) 2008-11-26 EP disclosed
US-20060182937-A1 Ink composition, ink jet recording method, printed material method of producing planographic printing plate, and planographic printing plate FUJI PHOTO FILM CO., LTD. 2006-08-17 US disclosed
EP-1688466-A1 Ink composition, ink jet recording method, printed material, method of producing planographic printing plate, and planographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2006-08-09 EP disclosed
US-6468711-B1 TITANOCENE COMPOUNDS AND A CARBONYLTHIAZOLE DYE OR MEROCYANINE DYE FUJI PHOTO FILM CO., LTD. (JP) 2002-10-22 US disclosed
EP-0985683-A1 Photosensitive composition and method for manufacturing lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2000-03-15 EP disclosed