SCHEMBL4896345

SCHEMBL4896345

C=C(C)C(=O)NCC(=O)NCC(=O)N(c1ccccn1)C(CCCCN)(C(=O)O)c1ccccn1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4896385 0.79 POLB (0.31) ALDH1A1GAAHPGD
SCHEMBL4896400 0.79 POLB (0.31) ALDH1A1GAAHPGD
SCHEMBL4888010 0.72 F2 (0.36) ALDH1A1KDM4EGAAHPGD
SCHEMBL4896372 0.67 HDAC6 (0.36)
SCHEMBL25316083 0.61 SMN1; SMN2 (0.39) ALDH1A1KDM4EGAA
SCHEMBL3342250 0.57 POLB (0.44) GAA
SCHEMBL4094120 0.56 HDAC1 (0.45) KDM4E
SCHEMBL11139095 0.56 EGLN1 (0.47) ALDH1A1KDM4EHPGD
SCHEMBL366720 0.56 EGLN1 (0.47) ALDH1A1KDM4EHPGD
SCHEMBL10886941 0.56 HRH1 (0.50)

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
US-20080193377-A1 Radiolabeled Nanohybrids Targeting Solid Tumor Neovasculature and Method of Using Same UNIVERSITY OF MARYLAND, BALTIMORE 2008-08-14 US disclosed
EP-1768706-A2 RADIOLABELED NANOHYBRIDS TARGETING SOLID TUMOR NEOVASCULATURE AND METHOD OF USING SAME University of Maryland, Baltimore (US) 2007-04-04 EP disclosed
WO-2006012355-A2 RADIOLABELED NANOHYBRIDS TARGETING SOLID TUMOR NEOVASCULATURE AND METHOD OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2006-02-02 WO disclosed