SCHEMBL8401133

SCHEMBL8401133

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.40
CETP P11597 11/20 0.38
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
DDR1 Q08345 1/20 0.34

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
SCHEMBL8397395 0.88 SIGMAR1 (0.40) SIGMAR1CETPGRM2ALDH1A1GAA
SCHEMBL8401135 0.81 SIGMAR1 (0.45) SIGMAR1CETPGRM2
SCHEMBL6720322 0.77 MAPT (0.47) SIGMAR1ALDH1A1GAAMAPTHPGD
SCHEMBL6728347 0.77 SIGMAR1 (0.43) SIGMAR1CETPGRM2ALDH1A1GAA
Hydrochloric Acid SCHEMBL7208616 0.76 SIGMAR1 (0.44) SIGMAR1CETPGRM2ALDH1A1GAA
SCHEMBL8198030 0.72 SIGMAR1 (0.48) SIGMAR1CETPGAAMAPTHPGD
SCHEMBL27527832 0.71 SIGMAR1 (0.55) SIGMAR1MAPTTSHR
SCHEMBL6727838 0.71 ALDH1A1 (0.50) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL27481905 0.70 SIGMAR1 (0.50) SIGMAR1ALDH1A1MAPT
SCHEMBL6723982 0.70 SIGMAR1 (0.56) 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