SCHEMBL5248487

SCHEMBL5248487

COCc1ccc(CCC2SC(=O)NC2=O)c2ccc(=O)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
MAPT P10636 3/20 0.37
ADRB2 P07550 2/20 0.35
ADRB1 P08588 1/20 0.35
MAOA P21397 2/20 0.34
CISD1 Q9NZ45 2/20 0.34
MAOB P27338 1/20 0.34
FFAR1 O14842 2/20 0.33
PTPN1 P18031 1/20 0.32
PPARA Q07869 1/20 0.32
PPARG P37231 5/20 0.32
MPC2 O95563 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL12003019 0.79 CA2 (0.36) CA2MAPTPPARAPPARG
SCHEMBL96163 0.70 CA2 (0.46) CA2MAPTMAOACISD1MAOB
SCHEMBL5245502 0.70 CA2 (0.42) CA2MAPTADRB2ADRB1MAOA
SCHEMBL97252 0.64 CA2 (0.45) CA2MAPTMAOACISD1PTPN1
SCHEMBL5249820 0.64 ADRB2 (0.40) ADRB2ADRB1CYP2C9KDM4ETSHR
SCHEMBL6973500 0.63 MAPT (0.51) MAPTMAOACISD1MAOBFFAR1
SCHEMBL8172864 0.62 MAOA (0.54) MAPTMAOACISD1MAOBFFAR1
SCHEMBL8840901 0.62 TSHR (0.61) CA2MAPTMAOACISD1MAOB
SCHEMBL16490038 0.62 CA2 (0.54) CA2PPARAPPARGMPC2CYP2C8
SCHEMBL7281232 0.62 HTR2A (0.50) MAPTADRB2ALDH1A1KDM4EDRD2

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
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed