SCHEMBL8401135

SCHEMBL8401135

CCc1ccc(Br)c(N(C(N)=NC)c2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.45
CETP P11597 8/20 0.38
GRM2 Q14416 1/20 0.36
GRIN2B Q13224 1/20 0.35

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
SCHEMBL8397396 0.88 SIGMAR1 (0.38) SIGMAR1CETPGRM2GRIN2B
SCHEMBL8401133 0.81 SIGMAR1 (0.40) SIGMAR1CETPGRM2
SCHEMBL6728351 0.77 SIGMAR1 (0.67) SIGMAR1
Hydrochloric Acid SCHEMBL7208622 0.76 SIGMAR1 (0.69) SIGMAR1
SCHEMBL8198033 0.72 SIGMAR1 (0.46) SIGMAR1
SCHEMBL27527832 0.71 SIGMAR1 (0.55) SIGMAR1
SCHEMBL27481906 0.70 SIGMAR1 (0.46) SIGMAR1
SCHEMBL8397395 0.69 SIGMAR1 (0.40) SIGMAR1CETPGRM2
SCHEMBL6720322 0.69 MAPT (0.47) SIGMAR1
SCHEMBL6728347 0.69 SIGMAR1 (0.43) SIGMAR1CETPGRM2

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
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP claimed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO claimed