SCHEMBL4783116

SCHEMBL4783116

CCOC(=O)COc1ccc(-n2cc(-c3ccc(C)o3)[nH]c2=S)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 4/20 0.46
ADORA2B P29275 3/20 0.43
ADORA2A P29274 2/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
HPGD P15428 4/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TBXAS1 P24557 1/20 0.39

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
SCHEMBL4785836 0.89 NR4A1 (0.44) ALDH1A1MAPTGAAADORA2BADORA2A
SCHEMBL14147263 0.79 KMT2A (0.64) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL4735513 0.76 MMP13 (0.44) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL11815554 0.66 GAA (0.72) ALDH1A1MAPTGAAHPGDTP53
SCHEMBL4785282 0.65 KMT2A (0.50) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL11550281 0.64 GAA (0.70) ALDH1A1MAPTGAAHPGDTP53
SCHEMBL1107148 0.64 GAA (0.70) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL9267668 0.64 GAA (0.70) ALDH1A1MAPTGAAADORA2BADORA2A
SCHEMBL4784271 0.64 KMT2A (0.57) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL12814058 0.63 NPSR1 (0.58) ALDH1A1MAPTGAAPOLBNPSR1

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
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO claimed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed