SCHEMBL8335113

SCHEMBL8335113

O=C(NCc1ccc2c(c1)OCCO2)c1cc(C(=O)NCc2cccs2)ncn1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
HPGD P15428 4/20 0.64
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MMP13 P45452 2/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
FAAH O00519 1/20 0.48
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL8335479 0.89 SMN1; SMN2 (0.52) SMN1; SMN2HPGDL3MBTL1MEN1KMT2A
SCHEMBL8335466 0.81 MMP13 (0.72) SMN1; SMN2HPGDMAPK1ALDH1A1KMT2A
SCHEMBL8348532 0.81 MMP13 (0.57) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL5617718 0.80 ALDH1A1 (0.52) SMN1; SMN2HPGDMAPK1ALDH1A1MEN1
SCHEMBL8348721 0.79 MMP13 (0.77) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL8360152 0.79 KMT2A (0.53) HPGDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL8349486 0.79 MMP13 (0.57) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL8335106 0.78 MMP13 (0.50) SMN1; SMN2HPGDMAPK1ALDH1A1MEN1
SCHEMBL8358827 0.76 RAB9A (0.61) HPGDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL4716678 0.75 ALDH1A1 (0.54) SMN1; SMN2HPGDMAPK1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 US disclosed
WO-2004041788-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-21 WO disclosed