SCHEMBL21115

SCHEMBL21115

O=C(CCCCC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 1.00
HDAC1 Q13547 5/20 1.00
HDAC2 Q92769 5/20 1.00
PDGFRB P09619 5/20 1.00
HDAC6 Q9UBN7 4/20 1.00
KDR P35968 4/20 1.00
HDAC4 P56524 3/20 1.00
HDAC7 Q8WUI4 3/20 1.00
HDAC10 Q969S8 3/20 1.00
HDAC11 Q96DB2 3/20 1.00
HDAC8 Q9BY41 3/20 1.00
HDAC9 Q9UKV0 3/20 1.00
HDAC5 Q9UQL6 3/20 1.00
FLT1 P17948 3/20 1.00
PDGFRA P16234 3/20 0.98
TLK2 Q86UE8 6/20 0.78
PDPK1 O15530 4/20 0.69
AKT2 P31751 1/20 0.69
PDK1 Q15118 1/20 0.69
JAK3 P52333 1/20 0.66

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
SCHEMBL21116 1.00 HDAC3 (1.00) HDAC3HDAC1HDAC2PDGFRBHDAC6
SCHEMBL29924 0.99 HDAC3 (1.00) HDAC3HDAC1HDAC2PDGFRBHDAC6
SCHEMBL24642 0.99 HDAC3 (1.00) HDAC3HDAC1HDAC2PDGFRBHDAC6
SCHEMBL22683 0.92 PDGFRB (0.85) HDAC3HDAC1HDAC2PDGFRBHDAC6
SCHEMBL22682 0.92 PDGFRB (0.85) HDAC3HDAC1HDAC2PDGFRBHDAC6
SCHEMBL12473992 0.91 PDGFRB (0.85) HDAC3HDAC1HDAC2PDGFRBHDAC6
SCHEMBL12473993 0.91 PDGFRB (0.85) HDAC3HDAC1HDAC2PDGFRBHDAC6
SCHEMBL26087 0.89 HDAC3 (0.81) HDAC3HDAC1HDAC2PDGFRBHDAC6
SCHEMBL21182 0.89 HDAC3 (0.81) HDAC3HDAC1HDAC2PDGFRBHDAC6
SCHEMBL21183 0.89 HDAC3 (0.81) HDAC3HDAC1HDAC2PDGFRBHDAC6

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
WO-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO claimed
WO-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO disclosed
WO-2012025726-A1 Novel Hybrid Compounds UNIVERSITY OF GREENWICH (GB) 2012-03-01 WO disclosed