SCHEMBL7228016

SCHEMBL7228016

O=C1NC(=O)C(Cc2ccc(NC(=O)c3cc(=O)c4c(O)cc(O)cc4o3)cc2)S1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLH Q9Y253 1/20 0.45
MAPT P10636 3/20 0.45
MAOB P27338 7/20 0.43
MAOA P21397 3/20 0.42
ALOX5 P09917 1/20 0.41
ACHE P22303 1/20 0.41
QPCT Q16769 1/20 0.39
PPARG P37231 2/20 0.39
FFAR1 O14842 2/20 0.39
PPARA Q07869 2/20 0.39
CISD1 Q9NZ45 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7221825 0.91 MAPT (0.47) POLHMAPTMAOBMAOACISD1
SCHEMBL7223192 0.90 PPARG (0.47) MAPTMAOAPPARG
SCHEMBL7220586 0.89 POLH (0.59) POLHMAPTMAOBMAOAPPARG
SCHEMBL7223493 0.85 MAPT (0.45) POLHMAPTMAOBMAOAPPARG
SCHEMBL7230636 0.84 MAOB (0.49) POLHMAPTMAOBMAOA
SCHEMBL7237476 0.83 POLH (0.46) POLHMAPTMAOBMAOAPPARG
SCHEMBL7221140 0.81 MAOA (0.60) MAPTMAOBMAOAALDH1A1
SCHEMBL7229157 0.81 CA2 (0.47) MAPTMAOAACHEPPARGFFAR1
SCHEMBL7228269 0.81 MAPT (0.47) MAPTMAOAPPARGCISD1
SCHEMBL7228500 0.80 ABCB1 (0.46) POLHMAPTACHEPPARGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed