SCHEMBL9875111

SCHEMBL9875111

CCCN(CCC)C(=O)CC(C)Nc1c(C(=O)OCC)cnc2cc(Cl)cnc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 8/20 0.40
TP53 P04637 3/20 0.40
RXFP1 Q9HBX9 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
POLB P06746 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPK10 P53779 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL9874772 0.84 GAA (0.44) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL9874344 0.76 GAA (0.46) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL9874892 0.74 GAA (0.53) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL9875116 0.72 GAA (0.44) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL9382963 0.70 KMT2A (0.64) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL10607926 0.70 KDM4E (0.72) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL21982994 0.66 LMNA (0.61) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL10678542 0.65 KMT2A (0.67) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL10670596 0.65 KDM4E (0.69) GAAMEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL10676254 0.65 MAPK1 (0.67) GAAMEN1KMT2AKDM4EMAPT

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-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed