SCHEMBL12779124

SCHEMBL12779124

C/C(=N\OCc1ccc(Br)cc1)c1cc(Cl)ccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR5 P51681 4/20 0.40
S1PR1 P21453 6/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
CA12 O43570 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL12779102 0.93 MAPT (0.49) L3MBTL1NPC1RAB9AMAPTMEN1
SCHEMBL12779092 0.89 MAPT (0.44) L3MBTL1NPC1RAB9AMAPTMEN1
SCHEMBL12779122 0.88 NPC1 (0.46) L3MBTL1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL12779319 0.86 CCR5 (0.42) L3MBTL1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL12779173 0.86 MAPT (0.41) L3MBTL1NPC1RAB9AMAPTMEN1
SCHEMBL12779105 0.85 NPC1 (0.49) L3MBTL1NPC1RAB9AMAPTMEN1
SCHEMBL12779312 0.85 L3MBTL1 (0.52) L3MBTL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12779177 0.84 P2RX1 (0.41) L3MBTL1NPC1RAB9AMAPTMEN1
SCHEMBL12779494 0.84 CCR5 (0.38) L3MBTL1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL12779062 0.83 TRPA1 (0.48) L3MBTL1NPC1RAB9ALMNASMN1; SMN2

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