SCHEMBL7370171

SCHEMBL7370171

CCc1cccc(NC(=N)Nc2cccc(C(C)C)c2)c1.CCc1ccccc1NC(=N)Nc1cccc(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 4/20 0.46
GAA P10253 1/20 0.46
PTGER3 P43115 5/20 0.45
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
CYP1A2 P05177 1/20 0.44
TP53 P04637 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
FADS1 O60427 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6727801 0.94 MAPT (0.52) MAPTMEN1KMT2ASIGMAR1PTGER3
SCHEMBL6719069 0.90 MAPT (0.56) MAPTMEN1KMT2ASIGMAR1GAA
SCHEMBL6717039 0.89 SIGMAR1 (0.48) MAPTMEN1KMT2ASIGMAR1GAA
SCHEMBL7378095 0.84 SIGMAR1 (0.47) MAPTMEN1KMT2ASIGMAR1GAA
SCHEMBL6716767 0.83 SIGMAR1 (0.57) MAPTSIGMAR1GAATP53SMN1; SMN2
SCHEMBL6724060 0.80 CA2 (0.50) MEN1KMT2ASIGMAR1PTGER3KCNK3
SCHEMBL6719917 0.78 GRIN2D (0.55) MAPTMEN1KMT2ASIGMAR1PTGER3
SCHEMBL6419683 0.78 SIGMAR1 (0.55) MAPTMEN1KMT2ASIGMAR1GAA
SCHEMBL6720626 0.77 KMT2A (0.56) MAPTMEN1KMT2APTGER3KCNK3
SCHEMBL6720777 0.76 FADS1 (0.45) MEN1KMT2ASIGMAR1GAAPTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726706-A4 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS OREGON STATE (US) 1997-11-19 EP disclosed
EP-0726706-A1 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1996-08-21 EP disclosed
WO-1993017555-A1 N,N'-DISUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1993-09-16 WO disclosed
US-5190976-A Neuroprotective STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND UNIVERSITY OF OREGON (US) 1993-03-02 US disclosed