SCHEMBL6965278

SCHEMBL6965278

CC(C#N)Oc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TAAR1 Q96RJ0 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NOS3 P29474 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
SCHEMBL83507 0.84 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6980670 0.82 NPC1 (0.66) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL83781 0.80 NPC1 (0.43) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7837633 0.79 TAAR1 (0.42) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6980392 0.79 ALDH1A1 (0.41) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8592324 0.78 NPC1 (0.42) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL83319 0.78 NPC1 (0.46) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL82386 0.78 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8816195 0.78 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL82329 0.77 NPC1 (0.44) NPC1RAB9AMAPTALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861239-B1 BIPHENYL ETHER OXAZOLINES AND THEIR USE AS PEST-CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2003-02-12 EP disclosed
US-6211214-B1 PESTICIDES, INSECTICIDES OR MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
EP-0861239-A1 BIPHENYL ETHER OXAZOLINES AND THEIR USE AS PEST-CONTROL AGENTS BAYER AG (DE) 1998-09-02 EP disclosed
WO-1997019067-A1 BIPHENYL ETHER OXAZOLINES AND THEIR USE AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-05-29 WO disclosed