SCHEMBL6679305

SCHEMBL6679305

CCN(C)C(=N)Nc1cccc(C(C)N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FADS1 O60427 1/20 0.36
LMNA P02545 3/20 0.36
FAAH O00519 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CA2 P00918 2/20 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
Hydrochloric Acid SCHEMBL6675888 0.99 KDM4E (0.39) KDM4EMEN1KMT2AAURKARPS6KB1
SCHEMBL5078290 0.77 MEN1 (0.46) KDM4EMEN1KMT2AAURKARPS6KB1
SCHEMBL6675721 0.77 CFD (0.44) AURKBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6674693 0.77 MEN1 (0.41) KDM4EMEN1KMT2AAURKARPS6KB1
Hydrochloric Acid SCHEMBL6681868 0.76 KDM4E (0.40) KDM4EMEN1KMT2AAURKARPS6KB1
SCHEMBL27495551 0.76 FADS1 (0.40) KDM4EMEN1KMT2AAURKARPS6KB1
Hydrochloric Acid SCHEMBL6677521 0.76 CFD (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6675936 0.75 CTSK (0.42) MEN1KMT2AAURKARPS6KB1LMNA
Hydrochloric Acid SCHEMBL27564541 0.75 FADS1 (0.39) KDM4EMEN1KMT2AAURKARPS6KB1
SCHEMBL6679082 0.71 SIGMAR1 (0.52) KDM4EMEN1KMT2AAURKARPS6KB1

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed