SCHEMBL4756539

SCHEMBL4756539

CC(=O)Nc1ccccc1-n1c(N)nc2ccc(C(=O)O)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 1/20 0.41
MAPK1 P28482 1/20 0.40
HPD P32754 8/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
NEU3 Q9UQ49 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4D Q08499 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL4756548 0.81 GAA (0.46) HPDALDH1A1KDM4EKMT2AMEN1
SCHEMBL4756572 0.72 TTR (0.43) MAPK1HPDKDM4EPDE4D
SCHEMBL4753206 0.71 MAPK1 (0.45) MAPK1HPDKMT2AMEN1
SCHEMBL4756570 0.69 ALDH1A1 (0.50) MAPK1ALDH1A1KDM4EHPGDKMT2A
SCHEMBL8755640 0.69 PLAU (0.55) ALDH1A1KDM4EHPGDNEU3KMT2A
SCHEMBL8901022 0.67 ADORA3 (0.44) PTGFRALDH1A1KDM4EHPGDNEU3
SCHEMBL9954001 0.67 PDE4D (0.56) HPDALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8892083 0.67 ALDH1A1 (0.43) PTGFRALDH1A1KDM4EHPGDNEU3
SCHEMBL28232030 0.65 ALDH1A1 (0.51) MAPK1ALDH1A1KDM4EHPGDKMT2A
SCHEMBL9954671 0.65 HCAR1 (0.52) HPDPDE4D

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