SCHEMBL8397396

SCHEMBL8397396

CN=C(N)N(c1cccc(OC(F)(F)F)c1)c1cc(Br)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.38
DDR1 Q08345 1/20 0.36
CETP P11597 5/20 0.35
USP28 Q96RU2 1/20 0.33
USP25 Q9UHP3 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
PTGIR P43119 1/20 0.32
SLC6A4 P31645 1/20 0.32
GRIN2B Q13224 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
SCHEMBL8401135 0.88 SIGMAR1 (0.45) SIGMAR1CETPGRIN2BGRM2
SCHEMBL8397395 0.80 SIGMAR1 (0.40) SIGMAR1DDR1CETPUSP28USP25
SCHEMBL6719823 0.76 SIGMAR1 (0.58) SIGMAR1
Hydrochloric Acid SCHEMBL7203647 0.75 SIGMAR1 (0.60) SIGMAR1
SCHEMBL8401133 0.69 SIGMAR1 (0.40) SIGMAR1DDR1CETPGRM2
SCHEMBL6728351 0.67 SIGMAR1 (0.67) SIGMAR1
SCHEMBL6716829 0.67 ALDH1A1 (0.45) SIGMAR1
SCHEMBL6719821 0.67 SIGMAR1 (0.40) SIGMAR1DDR1CETPUSP28USP25
SCHEMBL27427344 0.66 SIGMAR1 (0.42) SIGMAR1
Hydrochloric Acid SCHEMBL7208622 0.66 SIGMAR1 (0.69) SIGMAR1

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