SCHEMBL6860366

SCHEMBL6860366

CC(C)(C)c1ccc(NC(N)=Nc2ccc(Cl)c(Cl)c2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.43
KIF11 P52732 1/20 0.43
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
CRHBP P24387 3/20 0.40
CRHR2 Q13324 3/20 0.40
MAPK1 P28482 2/20 0.39
GRIN2D O15399 3/20 0.39
GRIN3B O60391 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN3A Q8TCU5 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38

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
SCHEMBL4979590 0.76 SIGMAR1 (0.48) SIGMAR1RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL4983449 0.76 SIGMAR1 (0.66) SIGMAR1KIF11GRIN2DGRIN3BGRIN1
SCHEMBL6860362 0.69 RAB9A (0.43) KIF11RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL27297321 0.68 ITGB3 (0.37) SIGMAR1MAPK1
Hydrochloric Acid SCHEMBL4983242 0.68 RAB9A (0.42) KIF11RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL5450312 0.68 HTR3E (0.54) MAPK1NPSR1SLC22A2SLC22A1SLC22A3
Hydrochloric Acid SCHEMBL27328996 0.67 SIGMAR1 (0.37) SIGMAR1MAPK1
SCHEMBL6858733 0.65 KIF11 (0.59) KIF11RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL4348957 0.65 KIF11 (0.59) KIF11RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL8397802 0.65 KIF11 (0.55) KIF11RAB9ASMN1; SMN2NPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787569-B1 INHIBITORS OF NEUROTRANSMITTER (E.G., GLUTAMATE) RELEASE FROM ISCHEMIC NEURONAL CELLS; N,N-DISUBSTITUTED GUANIDINES; NEUROLOGICAL CONDITIONS SUCH AS EPILEPSY, NEURODEGENERATIVE CONDITIONS AND/OR NERVE CELL DEATH FROM STROKE OR HEART ATTACK CAMBRIDGE NEUROSCIENCE, INC. 2004-09-07 US disclosed
WO-1995020950-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-10 WO disclosed