SCHEMBL5814903

SCHEMBL5814903

CCOC(=O)Nc1ccc(C)c(Nc2nnc(-c3cccnc3)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.52
PDGFRB P09619 7/20 0.52
HDAC3 O15379 5/20 0.52
KDR P35968 5/20 0.52
HDAC4 P56524 5/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC7 Q8WUI4 5/20 0.52
HDAC2 Q92769 5/20 0.52
HDAC10 Q969S8 5/20 0.52
HDAC11 Q96DB2 5/20 0.52
HDAC8 Q9BY41 5/20 0.52
HDAC6 Q9UBN7 5/20 0.52
HDAC9 Q9UKV0 5/20 0.52
HDAC5 Q9UQL6 5/20 0.52
BLM P54132 1/20 0.50
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49

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
SCHEMBL255828 0.83 ALDH1A1 (0.64) HDAC1HDAC2BLMALDH1A1KDM4E
SCHEMBL5810496 0.81 ABL1 (0.63) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL5815993 0.81 ABL1 (0.66) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL5818898 0.81 BLM (0.56) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL5816859 0.81 HSD17B10 (0.46) BLMALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5815495 0.76 ABL1 (0.77) ABL1PDGFRBKDRBCRPDGFRA
SCHEMBL715436 0.75 GAA (0.61) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL717068 0.72 ABL1 (0.61) ABL1PDGFRBHDAC3KDRHDAC4
SCHEMBL27911826 0.72 ALDH1A1 (0.58) HDAC1HDAC2BLMALDH1A1KDM4E
SCHEMBL4832910 0.72 GAA (0.64) ABL1PDGFRBHDAC3KDRHDAC4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006064375-A9 AMINOARYL SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASES AB SCIENCE (FR) 2006-08-03 WO disclosed