SCHEMBL20203887

SCHEMBL20203887

Fc1cc(-c2ccc3nnc(C4CC(F)(I)C4)n3n2)cnc1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.44
TNK2 Q07912 1/20 0.33
SCN5A Q14524 1/20 0.32
MET P08581 4/20 0.32
DGAT1 O75907 2/20 0.32
LRRK2 Q5S007 2/20 0.32
RIPK1 Q13546 1/20 0.32
CYP3A4 P08684 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GABRA1 P14867 1/20 0.31
HPGD P15428 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL20203704 0.93 CYP1A2 (0.45) CYP1A2TNK2SCN5AMETDGAT1
SCHEMBL26539190 0.91 CYP1A2 (0.44) CYP1A2TNK2SCN5AMETDGAT1
SCHEMBL20203907 0.89 CYP1A2 (0.48) CYP1A2TNK2SCN5AMETDGAT1
SCHEMBL20204033 0.88 CYP1A2 (0.56) CYP1A2SCN5AMETDGAT1RIPK1
SCHEMBL20204039 0.88 CYP1A2 (0.56) CYP1A2SCN5AMETDGAT1RIPK1
SCHEMBL20204031 0.88 CYP1A2 (0.56) CYP1A2SCN5AMETDGAT1RIPK1
SCHEMBL26539208 0.86 CYP1A2 (0.47) CYP1A2TNK2SCN5AMETDGAT1
SCHEMBL26539214 0.86 CYP1A2 (0.47) CYP1A2TNK2SCN5AMETDGAT1
SCHEMBL26539218 0.86 CYP1A2 (0.47) CYP1A2TNK2SCN5AMETDGAT1
SCHEMBL20203964 0.80 CYP1A2 (0.47) CYP1A2SCN5AMETDGAT1RIPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018098499-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 WO disclosed