SCHEMBL8336325

SCHEMBL8336325

CCc1cccc(N(C(=N)NC)c2cccc3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.62
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 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
SCHEMBL8843004 0.84 SIGMAR1 (0.64) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL8332178 0.78 SIGMAR1 (0.63) SIGMAR1
SCHEMBL7786668 0.76 SIGMAR1 (0.39) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6721226 0.76 SIGMAR1 (1.00) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6720818 0.75 SIGMAR1 (0.81) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6720799 0.73 SIGMAR1 (0.64) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL7406514 0.73 SIGMAR1 (1.00) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6724356 0.73 SIGMAR1 (0.82) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL17678535 0.73 SIGMAR1 (0.60) SIGMAR1TP53CYP2D6TSHRTHPO
SCHEMBL6725035 0.72 SIGMAR1 (0.62) SIGMAR1TP53CYP2D6TSHRTHPO

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
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO claimed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed