SCHEMBL8397395

SCHEMBL8397395

CNC(=N)N(c1cccc(OC(F)(F)F)c1)c1cc(Br)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
DDR1 Q08345 1/20 0.38
CETP P11597 6/20 0.35
HDAC8 Q9BY41 1/20 0.35
USP28 Q96RU2 1/20 0.35
USP25 Q9UHP3 1/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
WDR5 P61964 1/20 0.33
SLC6A4 P31645 2/20 0.32
PTGIR P43119 1/20 0.32
GRM2 Q14416 1/20 0.32

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
SCHEMBL8401133 0.88 SIGMAR1 (0.40) SIGMAR1DDR1CETPALDH1A1GAA
SCHEMBL8397396 0.80 SIGMAR1 (0.38) SIGMAR1DDR1CETPHDAC8USP28
SCHEMBL6719821 0.76 SIGMAR1 (0.40) SIGMAR1DDR1CETPHDAC8USP28
SCHEMBL6716829 0.76 ALDH1A1 (0.45) SIGMAR1ALDH1A1GAAMAPTHPGD
Hydrochloric Acid SCHEMBL7203642 0.75 SIGMAR1 (0.41) SIGMAR1DDR1CETPHDAC8USP28
SCHEMBL8401135 0.69 SIGMAR1 (0.45) SIGMAR1CETPGRM2
SCHEMBL6726814 0.68 ALDH1A1 (0.48) ALDH1A1GAAMAPTHPGDALOX15
SCHEMBL6728347 0.67 SIGMAR1 (0.43) SIGMAR1CETPALDH1A1GAAMAPT
SCHEMBL6719823 0.67 SIGMAR1 (0.58) SIGMAR1
SCHEMBL27427343 0.66 SIGMAR1 (0.48) SIGMAR1ALDH1A1ALOX15

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 disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed