SCHEMBL10070044

SCHEMBL10070044

CCCCOc1c(C(=O)OC)nc2c(N3CCN(CC)CC3=O)cc(Br)cn2c1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL10070426 0.87 ALDH1A1 (0.35) ALDH1A1TLR7
SCHEMBL10071008 0.86 ALDH1A1 (0.33) MMP1MMP9MMP13ALDH1A1TLR7
SCHEMBL10069920 0.86 PDE4B (0.40) MMP1MMP9MMP13
SCHEMBL10070422 0.85 TLR7 (0.31) TLR7
SCHEMBL10070428 0.83
SCHEMBL10069879 0.83 TYK2 (0.32) TLR7
SCHEMBL10070933 0.81
SCHEMBL10070926 0.80 PIK3C3 (0.31) MMP1MMP9MMP13
SCHEMBL10070043 0.79 TSHR (0.35) ALDH1A1TLR7
SCHEMBL10069877 0.79 THRA (0.34) TLR7

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-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 WO disclosed