SCHEMBL13865682

SCHEMBL13865682

O=C(O)CSCC(=O)Nc1ccc2[nH]c(S)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 3/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.43
MITF O75030 1/20 0.43
KLF5 Q13887 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13922193 0.90 FABP4 (0.49) FABP4KDM4EALDH1A1MAPTMEN1
SCHEMBL7932260 0.83 MEN1 (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7795890 0.81 MEN1 (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6608676 0.76 KDM4E (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL14160765 0.76 EGFR (0.43) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8656540 0.76 SMN1; SMN2 (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10529672 0.76 FABP4 (0.49) FABP4KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL22425079 0.76 ROCK2 (0.56) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7794731 0.75 SPHK2 (0.54) KDM4EALDH1A1RAB9APOLBNPC1
SCHEMBL22424935 0.75 GAA (0.56) KDM4EALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538144-B2 Photoreactive polymers AGFA GRAPHICS, N.V. (BE) 2009-05-26 US disclosed
US-7538144-B2 Photoreactive polymers AGFA GRAPHICS, N.V. (BE) 2009-05-26 US disclosed
US-7507773-B2 Dendritic polymer core, e.g., hyperbranched polyglycidol, with at least one initiating functional group and at least one co-initiating functional group that is an aliphatic amine, an aromatic amine or a thiol; ink jet inks AGFA GRAPHICS N.V. (BE) 2009-03-24 US disclosed
US-7507773-B2 Dendritic polymer core, e.g., hyperbranched polyglycidol, with at least one initiating functional group and at least one co-initiating functional group that is an aliphatic amine, an aromatic amine or a thiol; ink jet inks AGFA GRAPHICS N.V. (BE) 2009-03-24 US disclosed
US-7507785-B2 Polymeric co-initiators AGFA GRAPHICS N.V. (BE) 2009-03-24 US disclosed
US-7507785-B2 Polymeric co-initiators AGFA GRAPHICS N.V. (BE) 2009-03-24 US disclosed
US-7396861-B2 Containing a photoinitiator polymer with a dendritic polymer core with at least one co-initiating aliphatic amine, aromatic amine or thiol end group, e.g., a polyglycidol esterified with p-(dimethylamino)benzoic acid; ink jet inks; food packaging with reduced extractables AGFA GRAPHICS NV (BE) 2008-07-08 US disclosed
US-7396861-B2 Containing a photoinitiator polymer with a dendritic polymer core with at least one co-initiating aliphatic amine, aromatic amine or thiol end group, e.g., a polyglycidol esterified with p-(dimethylamino)benzoic acid; ink jet inks; food packaging with reduced extractables AGFA GRAPHICS NV (BE) 2008-07-08 US disclosed
EP-1616922-B1 Novel radiation curable compositions AGFA GRAPHICS NV (BE) 2007-08-29 EP disclosed