SCHEMBL8499114

SCHEMBL8499114

Cc1cc(=O)oc2cc(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCCNC(=N)N)ccc12.Cc1cc(=O)oc2cc(NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCCNC(=N)N)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
NPY4R P50391 6/20 0.45
NPY1R P25929 5/20 0.45
NPY2R P49146 4/20 0.45
NPY5R Q15761 4/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
MAPT P10636 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
SCHEMBL7204719 1.00 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7204729 1.00 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29543910 0.99 CA12 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7208677 0.99 CA12 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7208685 0.99 CA12 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL31045724 0.95 CA12 (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29790963 0.95 CA12 (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7206896 0.94 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7206886 0.94 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29614667 0.93 NPY4R (0.46) KDM4EALDH1A1HPGDHSD17B10MEN1

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-0938675-A1 ANALYSIS OF CARBOHYDRATES AMERSHAM INTERNATIONAL plc (GB) 1999-09-01 EP disclosed
WO-1998015829-A1 ANALYSIS OF CARBOHYDRATES AMERSHAM INTERNATIONAL PLC (GB) 1998-04-16 WO disclosed