SCHEMBL7778393

SCHEMBL7778393

CC(=O)N(Cc1ccccc1)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.62
LTB4R2 Q9NPC1 2/20 0.55
ACHE P22303 1/20 0.53
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.48
MAPK14 Q16539 2/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL5694553 0.88 TSPO (0.72) TSPOLTB4R2TSHRALDH1A1NPC1
SCHEMBL8976804 0.85 LMNA (0.49) TSPOLTB4R2ACHEGAATSHR
SCHEMBL6727472 0.84 RNF4 (0.53) TSPOLTB4R2HTTSMN1; SMN2CYP3A4
SCHEMBL1336855 0.82 TSHR (0.49) LTB4R2GAATSHRALDH1A1NPC1
SCHEMBL14176611 0.81 TSPO (0.73) TSPOLTB4R2ALDH1A1NPC1GLA
SCHEMBL4822461 0.80 TSPO (0.62) TSPOLTB4R2ALDH1A1NPC1GLA
SCHEMBL8001968 0.80 TSPO (0.67) TSPOLTB4R2ALDH1A1NPC1GLA
SCHEMBL8009661 0.80 TSPO (0.62) TSPOLTB4R2ALDH1A1NPC1GLA
SCHEMBL3060251 0.79 TSHR (0.71) LTB4R2ACHEGAATSHRALDH1A1
SCHEMBL943042 0.79 TSPO (0.60) TSPOLTB4R2ALDH1A1NPC1GLA

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-1129084-A2 PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2001-09-05 EP claimed
WO-2000027832-A2 THIAZOLE DERIVATIVES AS PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2000-05-18 WO claimed
EP-4265613-A1 BENZENE RING COMPOUND AND USE THEREOF Nanjing Shijiang Medicine Technology Co., Ltd (CN) 2023-10-25 EP disclosed
EP-1129084-A2 PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2001-09-05 EP disclosed
WO-2000027832-A2 THIAZOLE DERIVATIVES AS PPAR GAMMA LIGANDS GLAXO GROUP LIMITED (GB) 2000-05-18 WO disclosed