SCHEMBL6624701

SCHEMBL6624701

[c]1nnn(-n2cnc3ccccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
HTT P42858 3/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
TNF P01375 1/20 0.37
FGFR1 P11362 2/20 0.36
LMNA P02545 2/20 0.35
STAT6 P42226 1/20 0.35
ALDH3A1 P30838 1/20 0.35

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
SCHEMBL7196401 0.75 TDP1 (0.58) TDP1HTTKMT2AMEN1HPGD
SCHEMBL3389268 0.67 TDP1 (0.48) TDP1HTTKMT2AMEN1HPGD
SCHEMBL7043858 0.66 TDP1 (0.43) TDP1HTTKMT2AMEN1HPGD
SCHEMBL7027115 0.66 TDP1 (0.43) TDP1HTTKMT2AMEN1HPGD
SCHEMBL4553023 0.65 TDP1 (0.46) TDP1HTTKMT2AMEN1HPGD
SCHEMBL7018098 0.64 TDP1 (0.42) TDP1HTTSMN1; SMN2CYP11B1CYP11B2
SCHEMBL460599 0.64 TDP1 (0.54) TDP1HTTKMT2AMEN1HPGD
SCHEMBL9449531 0.63 TDP1 (0.44) TDP1HTTKMT2AMEN1HPGD
SCHEMBL739312 0.63 GAA (0.47) TDP1HTTKMT2AMEN1HPGD
SCHEMBL29991297 0.63 GAA (0.47) TDP1HTTKMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960108-B1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-10-27 EP claimed
EP-0960108-B1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-10-27 EP disclosed