SCHEMBL11017444

SCHEMBL11017444

CCCC(=O)Nc1nc2ccc(Cl)cc2c(=O)o1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C1R P00736 3/20 0.51
FBP1 P09467 1/20 0.50
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
ELANE P08246 2/20 0.47
ADORA3 P0DMS8 3/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GSK3B P49841 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ANO1 Q5XXA6 1/20 0.44
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL10754997 0.91 C1R (0.52) C1RFBP1ELANEADORA3KDM4E
SCHEMBL10748148 0.80 ELANE (0.65) C1RELANEKDM4EALDH1A1
SCHEMBL11772430 0.73 GSK3B (0.58) FBP1POLBGAAADORA3KDM4E
SCHEMBL14697189 0.73 ANO1 (0.61) FBP1POLBGAACASP3SENP7
SCHEMBL3453029 0.72 NPC1 (0.71) C1RGAAELANEKDM4EALDH1A1
SCHEMBL4866482 0.72 CSNK1D (0.52) FBP1POLBGAAANO1
SCHEMBL6350945 0.71 C1R (0.46) C1RELANEKDM4EALDH1A1
SCHEMBL6567397 0.70 ALDH1A1 (0.48) C1RPOLBELANEKDM4EALDH1A1
SCHEMBL1812732 0.70 ELANE (0.70) C1RELANEKDM4EALDH1A1
SCHEMBL31000399 0.70 ELANE (0.70) C1RELANEKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed