SCHEMBL13063685

SCHEMBL13063685

CNCCCCCCCC(=O)NC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
NAMPT P43490 1/20 0.45
LMNA P02545 1/20 0.44
EPHX1 P07099 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
HSP90AA1 P07900 1/20 0.41
FAAH O00519 5/20 0.40
CASP2 P42575 1/20 0.39
ADRA1A P35348 1/20 0.39
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DNM1 Q05193 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL13595584 1.00 KDM4A (0.47) KDM4AKDM4CNAMPTLMNAEPHX1
SCHEMBL14073785 1.00 KDM4A (0.47) KDM4AKDM4CNAMPTLMNAEPHX1
SCHEMBL19267180 0.98 LMNA (0.46) KDM4AKDM4CNAMPTLMNAEPHX1
SCHEMBL23616303 0.92 CASP2 (0.52) NAMPTFAAHCASP2MEN1KMT2A
SCHEMBL2742896 0.90
SCHEMBL21501444 0.88 GAA (0.47) KDM4AKDM4CNAMPTLMNAEPHX1
Hydrochloric Acid SCHEMBL2022572 0.88 LMNA (0.46) KDM4AKDM4CNAMPTLMNAEPHX1
SCHEMBL5909431 0.87 HDAC3 (0.55) NAMPTLMNAHDAC3HDAC1HDAC2
SCHEMBL5909483 0.87 HDAC3 (0.55) NAMPTLMNAHDAC3HDAC1HDAC2
SCHEMBL12333287 0.87 HDAC3 (0.55) NAMPTLMNAHDAC3HDAC1HDAC2

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
EP-1494705-B1 A COMPOSITION AND METHOD FOR KILLING OF TUMOURS COMMW SCIENT IND RES ORG (AU) 2010-12-29 EP disclosed