SCHEMBL12779261

SCHEMBL12779261

FC(F)(F)c1ccc(Cl)cc1/C(=N/OCc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 4/20 0.35
ALDH1A1 P00352 2/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
GAA P10253 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 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
SCHEMBL12779257 0.93 MRGPRX4 (0.41) MRGPRX4SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL12779267 0.92 MRGPRX4 (0.44) MRGPRX4SMN1; SMN2NPC1RAB9APPARG
SCHEMBL12779405 0.90 S1PR1 (0.39) MRGPRX4SMN1; SMN2NPC1RAB9APPARG
SCHEMBL12779127 0.90 PPARG (0.41) MRGPRX4SMN1; SMN2NPC1RAB9APPARG
SCHEMBL12779299 0.88 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2NPC1RAB9APPARG
SCHEMBL12779391 0.87 ALDH1A1 (0.41) MRGPRX4SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL12779393 0.87 MRGPRX4 (0.40) MRGPRX4SMN1; SMN2NPC1RAB9APPARG
SCHEMBL12779351 0.86 NPC1 (0.51) MRGPRX4SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL12779356 0.85 MRGPRX4 (0.48) MRGPRX4SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL12779279 0.84 MRGPRX4 (0.44) MRGPRX4NPC1RAB9ALMNA

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
US-7906538-B2 Parasiticides; nematocides; crop protection SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2011-03-15 US disclosed