SCHEMBL7206896

SCHEMBL7206896

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 6/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL7206886 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7204729 0.94 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL8499114 0.94 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7204719 0.94 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11354452 0.94 CA12 (0.46) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11354462 0.94 CA12 (0.46) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7208685 0.94 CA12 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL29543910 0.94 CA12 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7208677 0.94 CA12 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11349683 0.93 KDM4E (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938675-B1 ANALYSIS OF CARBOHYDRATES AMERSHAM PLC (GB) 2003-05-07 EP disclosed
US-6294667-B1 SEPARATION OF THE FLUORESCENTLY LABELLED CARBOHYDRATE SUBSTANCES, BY VIRTUE OF THEIR DIFFERENT CHARGE-TO-MASS RATIOS OR OTHER FACTORS, ENABLING A LARGER NUMBER OF DIFFERENT LABELLED CARBOHYDRATE SUBSTANCES TO BE SEPARATED AMERSHAM INTERNATIONAL PLC 2001-09-25 US disclosed
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