SCHEMBL4756570

SCHEMBL4756570

Nc1nc2ccc(C(=O)O)cc2c(=O)n1-c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 5/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PDE5A O76074 1/20 0.44
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
SRD5A2 P31213 1/20 0.43
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
POLB P06746 2/20 0.42
ESR1 P03372 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
IGFBP3 P17936 1/20 0.42
SHMT2 P34897 1/20 0.41

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
SCHEMBL4756572 0.77 TTR (0.43) MAPK1KDM4E
SCHEMBL4753206 0.76 MAPK1 (0.45) MAPK1MAPTKMT2AMEN1
SCHEMBL4755109 0.72 SMN1; SMN2 (0.44) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL4756548 0.72 GAA (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL3034631 0.70 ALDH1A1 (0.47) ALDH1A1MAPK1KDM4EMAPTHPGD
Piperonylic Acid SCHEMBL142318 0.70 ALDH1A1 (1.00) ALDH1A1MAPK1KDM4EMAPTHPGD
Piperonylic Acid SCHEMBL31119409 0.70 ALDH1A1 (1.00) ALDH1A1MAPK1KDM4EMAPTHPGD
Piperonylic Acid SCHEMBL3946119 0.70 ALDH1A1 (1.00) ALDH1A1MAPK1KDM4EMAPTHPGD
SCHEMBL4756539 0.69 PTGFR (0.41) ALDH1A1MAPK1KDM4EHPGDKMT2A
Piperonylic Acid SCHEMBL1184937 0.69 ALDH1A1 (0.96) ALDH1A1MAPK1MAPTHPGDKMT2A

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
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO claimed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed