SCHEMBL9488985

SCHEMBL9488985

CC1(C)CN(CCNC2CCCCC2)CC(C)(C)N1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.54
SIGMAR1 Q99720 5/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR4 P61073 2/20 0.32
CXCL12 P48061 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HRH4 Q9H3N8 2/20 0.31

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
SCHEMBL9697115 0.90 RAD52 (0.44) RAD52SIGMAR1KDM4ELMNAHRH3
SCHEMBL9782959 0.90 RAD52 (0.51) RAD52SIGMAR1KDM4ELMNAHTT
SCHEMBL10486756 0.75 RAD52 (0.39) RAD52SIGMAR1KDM4ELMNAALDH1A1
SCHEMBL9326448 0.75 RAD52 (0.39) RAD52SIGMAR1KDM4ELMNAALDH1A1
SCHEMBL10486749 0.75 RAD52 (0.39) RAD52SIGMAR1KDM4ELMNAALDH1A1
SCHEMBL11142790 0.72 CXCR4 (0.44) RAD52KDM4ELMNAHRH3ALDH1A1
SCHEMBL3446318 0.72 RAD52 (0.72) RAD52SIGMAR1HRH3HTTSMN1; SMN2
SCHEMBL21549043 0.72 RAD52 (0.66) RAD52SIGMAR1KDM4EHTTSMN1; SMN2
SCHEMBL9488929 0.72
SCHEMBL10640087 0.71 GAA (0.41) RAD52KDM4ELMNAHRH3ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0429996-A2 Process for methylating a hindered nitrogen atom in an inert non aqueous-solvent THE B.F. GOODRICH COMPANY (US) 1991-06-05 EP claimed
US-5239071-A PROCESS FOR METHYLATING A HINDERED NITROGEN ATOM IN AN INERT NON-AQUEOUS SOLVENT THE B. F. GOODRICH COMPANY (US) 1993-08-24 US disclosed
US-5053505-A Process for the manufacture of a tri-substituted triazine stabilizer THE B. F. GOODRICH COMPANY (US) 1991-10-01 US disclosed
US-5026849-A Solventless process for preparing a tri-substituted triazine THE B. F. GOODRICH COMPANY (US) 1991-06-25 US disclosed
EP-0429996-A2 Process for methylating a hindered nitrogen atom in an inert non aqueous-solvent THE B.F. GOODRICH COMPANY (US) 1991-06-05 EP disclosed