SCHEMBL16370004

SCHEMBL16370004

FC(F)(F)c1c[c]ccc1-n1cccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
MAPK1 P28482 3/20 0.38
NPC1 O15118 1/20 0.38
CRHR1 P34998 1/20 0.34
NOTUM Q6P988 1/20 0.34
TDO2 P48775 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PMP22 Q01453 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL161297 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL31297066 0.78 MAPT (0.53) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL9527615 0.78 MAPT (0.53) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL4877865 0.78 NOTUM (0.50) NOTUMCYP1A2CYP2C9CYP2C19
SCHEMBL29001798 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL4878068 0.76 NOTUM (0.44) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL12750055 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL7237526 0.73 KDM4E (0.40) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL27934781 0.72 TDO2 (0.44) ALDH1A1KDM4EMAPTMEN1LMNA
SCHEMBL27945389 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMEN1LMNA

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-2015003991-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-01-15 WO disclosed