SCHEMBL9874892

SCHEMBL9874892

CCCN(CCC)C(=O)C(C)Nc1c(C(=O)OCC)cnc2cc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 6/20 0.48
SRC P12931 1/20 0.48
MAPK10 P53779 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.42
PDE6D O43924 1/20 0.42
PDE5A O76074 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE6B P35913 1/20 0.42
PDE6C P51160 1/20 0.42
PDE6H Q13956 1/20 0.42
MAPK1 P28482 2/20 0.41

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
SCHEMBL9875153 0.86 PDE5A (0.53) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL9382784 0.85 KDM4E (0.39) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL9872808 0.83 KMT2A (0.40) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL9382963 0.82 KMT2A (0.64) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL9875116 0.81 GAA (0.44) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL9875344 0.80 ATM (0.52) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL9874344 0.78 GAA (0.46) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL21982994 0.77 LMNA (0.61) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL9382967 0.76 MEN1 (0.49) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL10607926 0.76 KDM4E (0.72) 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 3 patents. 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 claimed
JP-2032058-A None JP disclosed
JP-H0232058-A 4-AMINO-3-CABOXYQUINOLINES AND NAPHTHYLIDINES, THEIR PREPARATION AND MEDICAL USE SANOFI SA 1990-02-01 JP disclosed