SCHEMBL8349486

SCHEMBL8349486

O=C(NCc1ccc(F)c(Br)c1)c1cc(C(=O)NCc2cccs2)ncn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.57
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 8/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
MMP10 P09238 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL8348721 0.87 MMP13 (0.77) MMP13HPGDALDH1A1RAB9ANPC1
SCHEMBL8348532 0.87 MMP13 (0.57) MMP13HPGDALDH1A1RAB9ANPC1
SCHEMBL8348345 0.83 MMP13 (0.62) MMP13HPGDALDH1A1SMN1; SMN2MMP10
SCHEMBL8348635 0.83 MMP13 (0.57) MMP13ALDH1A1MEN1KMT2AMMP10
SCHEMBL8347568 0.82 MMP13 (0.61) MMP13ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8357434 0.81 MMP13 (0.86) MMP13MMP10MMP9MMP8
SCHEMBL8349716 0.80 MMP13 (0.53) MMP13ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL8349445 0.80 MMP13 (0.74) MMP13HPGDALDH1A1RAB9ANPC1
SCHEMBL8335113 0.79 SMN1; SMN2 (0.64) MMP13HPGDALDH1A1RAB9ANPC1
SCHEMBL8349714 0.78 MMP13 (0.61) MMP13HPGDALDH1A1MMP10MMP9

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
WO-2004060883-A1 PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR USE AS SELECTIVE MMP 13 INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed