SCHEMBL8398385

SCHEMBL8398385

CC(C)c1ccccc1N(C(=N)N)c1cccc2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.42
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
PTPN1 P18031 3/20 0.35
MCL1 Q07820 1/20 0.35
RECQL P46063 1/20 0.34
ALOX5 P09917 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
KLKB1 P03952 1/20 0.32
KLK1 P06870 1/20 0.32
PRSS1 P07477 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
SCHEMBL8741217 0.88 SIGMAR1 (0.44) SIGMAR1ALOX5
SCHEMBL9626664 0.85 SIGMAR1 (0.54) SIGMAR1CYP1A2ALOX5
SCHEMBL9627587 0.81 SIGMAR1 (0.42) SIGMAR1CYP1A2ALOX5CYP3A4SLC6A2
SCHEMBL8332260 0.78 HRH4 (0.36) SIGMAR1RECQL
SCHEMBL25763688 0.74 CYP1A2 (0.48) CYP1A2CYP2A6RECQLCYP3A4SLC6A2
SCHEMBL8741327 0.73 SIGMAR1 (0.49) SIGMAR1CYP2D6
SCHEMBL8334067 0.73 SIGMAR1 (0.37) SIGMAR1CYP1A2CYP3A4SLC6A2
SCHEMBL6158953 0.72 SIGMAR1 (0.39) SIGMAR1ALOX5
SCHEMBL6156768 0.72 SIGMAR1 (0.40) SIGMAR1ALOX5
SCHEMBL6720820 0.72 RECQL (0.52) SIGMAR1CYP1A2CYP2A6RECQLCYP3A4

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