SCHEMBL5299287

SCHEMBL5299287

CCN(CC)C(=S)Oc1ccccc1.NC(O)=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN2C Q14957 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 4/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MGLL Q99685 1/20 0.41
MAPT P10636 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ABCC1 P33527 1/20 0.36

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
Ethane SCHEMBL27729139 0.98 GRIN2D (0.46) GRIN2DGRIN2CL3MBTL1ALDH1A1NFKB1
SCHEMBL2462796 0.94 GRIN2D (0.50) GRIN2DGRIN2CL3MBTL1ALDH1A1NFKB1
Ethane SCHEMBL28074791 0.94 GRIN2D (0.43) GRIN2DGRIN2CL3MBTL1ALDH1A1NFKB1
SCHEMBL9725706 0.80 LMNA (0.44) GRIN2DGRIN2CL3MBTL1ALDH1A1NFKB1
SCHEMBL27816641 0.78 MAPT (0.40) GRIN2DGRIN2CL3MBTL1ALDH1A1NFKB1
SCHEMBL9870771 0.77 MAPT (0.48) ALDH1A1KMT2AMAPTLMNA
SCHEMBL1254822 0.76 ALDH1A1 (0.49) GRIN2DGRIN2CL3MBTL1ALDH1A1KMT2A
Toluene SCHEMBL27450109 0.76 TRPM8 (0.40) L3MBTL1ALDH1A1MGLLMAPTNPC1
Phenetole SCHEMBL27873684 0.76 MAPT (0.51) L3MBTL1RELAMAPTNPC1RAB9A
SCHEMBL1253445 0.73 LMNA (0.45) L3MBTL1ALDH1A1MGLLNPC1RAB9A

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-2007012630-A1 CONDUCTIVE OR SEMI-CONDUCTIVE MATERIAL MODIFIED BY ELECTROCHEMICAL GRAFTING OF POLYMER FILMS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-02-01 WO disclosed