SCHEMBL13813174

SCHEMBL13813174

Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1CCC(=O)NC[C@H](C)C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 12/20 0.59
▸ HDAC3 O15379 3/20 0.59
▸ HDAC4 P56524 3/20 0.59
▸ HDAC1 Q13547 3/20 0.59
▸ HDAC7 Q8WUI4 3/20 0.59
▸ HDAC2 Q92769 3/20 0.59
▸ HDAC10 Q969S8 3/20 0.59
▸ HDAC11 Q96DB2 3/20 0.59
▸ HDAC8 Q9BY41 3/20 0.59
▸ HDAC6 Q9UBN7 3/20 0.59
▸ HDAC9 Q9UKV0 3/20 0.59
▸ HDAC5 Q9UQL6 3/20 0.59
▸ AURKA O14965 2/20 0.58
▸ ALK Q9UM73 3/20 0.58
▸ PRKAA1 Q13131 6/20 0.57
▸ PRKAA2 P54646 5/20 0.57
▸ KDR P35968 9/20 0.56
▸ TLK2 Q86UE8 3/20 0.56
▸ FGFR1 P11362 8/20 0.56
▸ AKT2 P31751 2/20 0.54

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
SCHEMBL13799829 0.83 AURKA (0.68) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL8213661 0.78 PDGFRB (0.75) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL20051937 0.77 ALK (0.67) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL8210172 0.76 HDAC3 (0.76) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL8206624 0.76 PDGFRB (0.75) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL18814394 0.75 ALK (0.82) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL8199581 0.75 PDGFRB (0.77) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL8206900 0.75 PDGFRB (0.77) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL28430880 0.75 KDR (0.86) PDGFRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL28430885 0.75 KDR (0.86) PDGFRBHDAC3HDAC4HDAC1HDAC7

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
US-20090163371-A1 Anchor-Assisted Fragment Selection and Directed Assembly ENSEMBLE THERAPEUTICS CORPORATION 2009-06-25 — — US disclosed
Send feedback