SCHEMBL6471891

SCHEMBL6471891

Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc3ccccc3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
TDP1 Q9NUW8 2/20 0.51
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
CA1 P00915 1/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.48
NPC1 O15118 3/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
IGLV6-57 P01721 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ERAP2 Q6P179 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44

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
SCHEMBL29823094 1.00 RAB9A (0.54) RAB9ATDP1CA12CA9CA1
SCHEMBL11465811 0.95 KDM4E (0.51) RAB9ATDP1CA12CA9CA1
SCHEMBL11462871 0.95 KDM4E (0.51) RAB9ATDP1CA12CA9CA1
Acetic Acid SCHEMBL1504306 0.91 RAB9A (0.50) RAB9ATDP1CA12CA9CA1
SCHEMBL29692701 0.91 RAB9A (0.52) RAB9ATDP1CA12CA9CA1
SCHEMBL29543699 0.91 RAB9A (0.52) RAB9ATDP1CA12CA9CA1
SCHEMBL30875001 0.91 RAB9A (0.56) RAB9ATDP1CA12CA9CA1
SCHEMBL7205667 0.90 CA12 (0.52) RAB9ATDP1CA12CA9CA1
SCHEMBL7205674 0.90 CA12 (0.52) RAB9ATDP1CA12CA9CA1
SCHEMBL7211984 0.89 KDM4E (0.52) RAB9ATDP1CA12CA9CA1

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-1601764-A2 A CLASS OF METACASPASES VIB vzw (BE) 2005-12-07 EP disclosed
WO-2004081168-A2 A CLASS OF METACASPASES VIB VZW (BE) 2004-09-23 WO disclosed