SCHEMBL4749159

SCHEMBL4749159

O=C(Nc1ccccc1C(=O)O)Nc1ccccc1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.69
CFD P00746 1/20 0.68
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
KDM4E B2RXH2 2/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
CA12 O43570 2/20 0.65
CA2 P00918 2/20 0.65
CA9 Q16790 2/20 0.65
ALDH1A1 P00352 2/20 0.65
MAPT P10636 1/20 0.65
NFKB1 P19838 1/20 0.65
GFER P55789 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
PKM P14618 1/20 0.61
GRIK1 P39086 3/20 0.59
MASP2 O00187 1/20 0.59

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
SCHEMBL1462332 0.92 KDM4E (0.71) DHODHCFDKMT2AMEN1KDM4E
SCHEMBL31580808 0.92 KDM4E (0.71) DHODHCFDKMT2AMEN1KDM4E
SCHEMBL16127718 0.90 CA12 (0.60) DHODHCFDKMT2AMEN1KDM4E
SCHEMBL5605545 0.89 KDM4E (0.64) DHODHCFDKMT2AMEN1KDM4E
SCHEMBL8686791 0.88 ALDH1A1 (0.70) DHODHCFDKMT2AMEN1KDM4E
SCHEMBL13936398 0.86 DHODH (0.64) DHODHCFDKMT2AMEN1KDM4E
SCHEMBL211260 0.86 KMT2A (0.61) DHODHCFDKMT2AMEN1KDM4E
SCHEMBL299823 0.86 GRIK1 (0.69) DHODHCFDKMT2AMEN1KDM4E
SCHEMBL6434424 0.86 KDM4E (0.74) CFDKMT2AMEN1KDM4ENPC1
SCHEMBL6326283 0.84 KMT2A (0.62) DHODHCFDKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed
US-4786706-A FIBERS, FILMS AND MOLDINGS BASF AKTIENGESELLSCHAFT (DE) 1988-11-22 US disclosed
US-4762907-A Wholly aromatic polyester carbamides and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
US-4473681-A Polyester urea capable of forming an anisotropic melt phase CELANESE CORPORATION (US) 1984-09-25 US disclosed