SCHEMBL4896385

SCHEMBL4896385

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

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31
F2 P00734 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
F10 P00742 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4896400 1.00 POLB (0.31) POLBHDAC6F2HDAC3HDAC4
SCHEMBL4896372 0.81 HDAC6 (0.36) POLBHDAC6HDAC3HDAC4HDAC1
SCHEMBL4896345 0.79 ALDH1A1 (0.30) ALDH1A1GAAHPGD
SCHEMBL4888010 0.74 F2 (0.36) HDAC6F2HDAC3HDAC4HDAC1
SCHEMBL3342250 0.59 POLB (0.44) POLBGAA
SCHEMBL4094120 0.58 HDAC1 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL366720 0.58 EGLN1 (0.47) POLBALDH1A1HPGD
SCHEMBL11139095 0.58 EGLN1 (0.47) POLBALDH1A1HPGD
SCHEMBL16866627 0.57 MAPK1 (0.64) ALDH1A1
SCHEMBL17102267 0.57 ADRA2C (0.37) F2ALDH1A1HPGD

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