SCHEMBL12779299

SCHEMBL12779299

FC(F)(F)c1ccc(Cl)cc1/C(=N/OCc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NR4A2 P43354 1/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
GRIN2B Q13224 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.38
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL12779267 0.95 MRGPRX4 (0.44) MRGPRX4NPC1RAB9APPARGPPARA
SCHEMBL12779279 0.93 MRGPRX4 (0.44) MRGPRX4NPC1RAB9ANR4A2IDO1
SCHEMBL12779257 0.92 MRGPRX4 (0.41) MRGPRX4NPC1RAB9APPARGPPARA
SCHEMBL12779393 0.90 MRGPRX4 (0.40) MRGPRX4NPC1RAB9APPARGPPARA
SCHEMBL12779405 0.89 S1PR1 (0.39) MRGPRX4NPC1RAB9APPARGGFER
SCHEMBL12779127 0.89 PPARG (0.41) MRGPRX4NPC1RAB9APPARGPPARA
SCHEMBL12779261 0.88 MRGPRX4 (0.38) MRGPRX4NPC1RAB9APPARGPPARA
SCHEMBL12779289 0.86 PPARG (0.44) MRGPRX4PPARGPPARAGFERKMT2A
SCHEMBL12779391 0.86 ALDH1A1 (0.41) MRGPRX4NPC1RAB9APPARGPPARA
SCHEMBL12779761 0.85 SMN1; SMN2 (0.41) MRGPRX4NPC1RAB9APPARGPPARA

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