SCHEMBL4444744

SCHEMBL4444744

CCc1nn2ccccc2c1Cc1ccc([C]=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.46
MMP3 P08254 2/20 0.46
HDAC1 Q13547 4/20 0.44
KCNH2 Q12809 2/20 0.41
ADCY10 Q96PN6 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
KLF5 Q13887 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AGTR1 P30556 3/20 0.34
PPARG P37231 3/20 0.34
MMP7 P09237 2/20 0.33
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
MIF P14174 1/20 0.32
DRD2 P14416 1/20 0.31

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
SCHEMBL4444748 0.83 HDAC1 (0.54) MMP12MMP3HDAC1KCNH2ADCY10
SCHEMBL4051855 0.81 MMP12 (0.55) MMP12MMP3HDAC1KCNH2PTGDR2
SCHEMBL4059249 0.80 MMP12 (0.44) MMP12MMP3HDAC1KCNH2ADCY10
SCHEMBL23382438 0.77 HDAC1 (0.46) MMP12MMP3HDAC1KCNH2ADCY10
SCHEMBL1780171 0.73 HDAC1 (0.46) MMP12MMP3HDAC1KCNH2ADCY10
SCHEMBL7521287 0.71 MMP3 (0.40) MMP12MMP3HDAC1KCNH2ADCY10
SCHEMBL6631574 0.70 HDAC1 (0.52) MMP12MMP3HDAC1KCNH2AGTR1
SCHEMBL1535659 0.69 ALDH1A1 (0.41) MMP12MMP3HDAC1ADCY10NPC1
Formamide SCHEMBL12477604 0.69 ALDH1A1 (0.40) MMP12MMP3HDAC1KCNH2ADCY10
SCHEMBL1779841 0.69 HDAC1 (0.42) MMP12MMP3HDAC1KCNH2MEN1

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
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed