SCHEMBL4444748

SCHEMBL4444748

CCc1nn2ccccc2c1Cc1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.54
KCNH2 Q12809 4/20 0.48
MMP12 P39900 3/20 0.47
MMP3 P08254 2/20 0.47
ADCY10 Q96PN6 1/20 0.37
AGTR1 P30556 2/20 0.36
PPARG P37231 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
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
NPSR1 Q6W5P4 1/20 0.34
MMP7 P09237 2/20 0.33

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
SCHEMBL4444744 0.83 MMP12 (0.46) HDAC1KCNH2MMP12MMP3ADCY10
SCHEMBL4051855 0.82 MMP12 (0.55) HDAC1KCNH2MMP12MMP3AGTR1
SCHEMBL4059249 0.81 MMP12 (0.44) HDAC1KCNH2MMP12MMP3ADCY10
SCHEMBL23382438 0.78 HDAC1 (0.46) HDAC1KCNH2MMP12MMP3ADCY10
SCHEMBL1779841 0.76 HDAC1 (0.42) HDAC1KCNH2MMP12MMP3SMN1; SMN2
Formamide SCHEMBL12477604 0.75 ALDH1A1 (0.40) HDAC1KCNH2MMP12MMP3ADCY10
SCHEMBL1780171 0.74 HDAC1 (0.46) HDAC1KCNH2MMP12MMP3ADCY10
SCHEMBL7521287 0.72 MMP3 (0.40) HDAC1KCNH2MMP12MMP3ADCY10
SCHEMBL1535659 0.70 ALDH1A1 (0.41) HDAC1MMP12MMP3ADCY10AGTR1
SCHEMBL8878871 0.69 MMP3 (0.36) HDAC1KCNH2MMP12MMP3ADCY10

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