SCHEMBL5269925

SCHEMBL5269925

Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)N)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA9 Q16790 3/20 0.47
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 6/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 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
SCHEMBL30149754 1.00 TDP1 (0.48) TDP1CA12CA1CA9KDM4E
SCHEMBL9614447 0.99 KDM4E (0.48) TDP1CA12CA1CA9KDM4E
SCHEMBL6858825 0.95 NPY4R (0.46) TDP1CA12CA1CA9KDM4E
SCHEMBL29543910 0.93 CA12 (0.47) TDP1CA12CA1CA9KDM4E
SCHEMBL7208685 0.93 CA12 (0.47) TDP1CA12CA1CA9KDM4E
SCHEMBL7208677 0.93 CA12 (0.47) TDP1CA12CA1CA9KDM4E
SCHEMBL18190281 0.92 TDP1 (0.46) TDP1CA12CA1CA9KDM4E
SCHEMBL7204729 0.92 KDM4E (0.48) TDP1CA12CA1CA9KDM4E
SCHEMBL8499114 0.92 KDM4E (0.48) TDP1CA12CA1CA9KDM4E
SCHEMBL7204719 0.92 KDM4E (0.48) TDP1CA12CA1CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161266-A4 MATRIPTASE, A SERINE PROTEASE AND ITS APPLICATIONS UNIV GEORGETOWN (US) 2007-09-19 EP disclosed
EP-1161266-A1 MATRIPTASE, A SERINE PROTEASE AND ITS APPLICATIONS GEORGETOWN UNIVERSITY (US) 2001-12-12 EP disclosed
WO-2000053232-A1 MATRIPTASE, A SERINE PROTEASE AND ITS APPLICATIONS GEORGETOWN UNIVERSITY (US) 2000-09-14 WO disclosed