SCHEMBL4896372

SCHEMBL4896372

C=C(C)C(=O)[C@](CCCCNC(=O)CNC(=O)CN)(C(=O)O)N(c1ccccn1)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.36
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GFER P55789 1/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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 0.81 POLB (0.31) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL4896385 0.81 POLB (0.31) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL4896345 0.67 ALDH1A1 (0.30)
SCHEMBL4888010 0.62 F2 (0.36) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL7546439 0.61 PAOX (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL19308998 0.60 PAOX (0.60) MEN1KMT2ASMN1; SMN2
SCHEMBL25874786 0.60 CA2 (0.56) HDAC6HDAC3HDAC4HDAC1HDAC2
SCHEMBL5996951 0.58 TRPV1 (0.71) KMT2APOLB
SCHEMBL17225990 0.58 MEN1 (0.42) MEN1KMT2ASMN1; SMN2
SCHEMBL7444117 0.58 PRMT1 (0.52) MEN1KMT2AALOX15RECQL

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