SCHEMBL5245502

SCHEMBL5245502

COc1cc(C)c(CCCC2SC(=O)NC2=O)c2ccc(=O)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
PTPN1 P18031 2/20 0.41
NQO2 P16083 6/20 0.37
CYP19A1 P11511 4/20 0.36
MAOA P21397 2/20 0.36
CISD1 Q9NZ45 2/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.34
EZH2 Q15910 1/20 0.33
FFAR1 O14842 2/20 0.32
ADRB2 P07550 2/20 0.32
ADRB1 P08588 1/20 0.32
PPARG P37231 2/20 0.32
MPC2 O95563 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL5245748 0.76 NQO2 (0.41) CA2PTPN1NQO2CYP19A1ALDH1A1
SCHEMBL5245517 0.72 NQO2 (0.38) NQO2CYP19A1ALDH1A1EZH2ADRB2
SCHEMBL5248944 0.72 TDP1 (0.41) NQO2CYP19A1ALDH1A1ADRB2ADRB1
SCHEMBL5249840 0.71 NQO2 (0.39) NQO2CYP19A1ALDH1A1MAPTEZH2
SCHEMBL5245883 0.71 NQO2 (0.39) NQO2CYP19A1ALDH1A1EZH2ADRB2
SCHEMBL8340297 0.70 PTPN1 (0.48) CA2PTPN1MAOACISD1MAOB
SCHEMBL5245341 0.70 NQO2 (0.36) NQO2CYP19A1ALDH1A1EZH2
SCHEMBL5248487 0.70 CA2 (0.42) CA2PTPN1MAOACISD1MAOB
SCHEMBL5246509 0.69 NQO2 (0.37) NQO2CYP19A1ALDH1A1EZH2
SCHEMBL5246630 0.68 NQO2 (0.40) NQO2CYP19A1ALDH1A1MAPTEZH2

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