SCHEMBL9303796

SCHEMBL9303796

NCCc1ccc(Oc2cccc(C(F)(F)F)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.49
LOX P28300 1/20 0.49
MAOB P27338 7/20 0.45
TAAR1 Q96RJ0 3/20 0.44
BACE1 P56817 1/20 0.41
FPR2 P25090 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL9106650 0.86 LOXL2 (0.43) LOXL2LOXBACE1FPR2SCN9A
SCHEMBL9105297 0.82 LOXL2 (0.45) LOXL2LOXBACE1FPR2SCN9A
SCHEMBL9105285 0.82 LOXL2 (0.45) LOXL2LOXBACE1FPR2SCN9A
SCHEMBL9892546 0.81 F10 (0.44) LOXL2LOXMAOBBACE1FPR2
SCHEMBL15871857 0.78 LOXL2 (0.55) LOXL2LOXFPR2SCN9A
SCHEMBL11537931 0.77 L3MBTL1 (0.55) LOXL2LOXFPR2SCN9A
SCHEMBL29371032 0.77 CYP1A2 (0.51) LOXL2LOXBACE1FPR2SCN9A
SCHEMBL11537806 0.77 GAA (0.55) LOXL2LOXBACE1FPR2SCN9A
SCHEMBL171631 0.77 MEN1 (0.47) LOXL2LOXBACE1FPR2SCN9A
SCHEMBL15277252 0.76 BACE1 (0.35) LOXL2LOXMAOBBACE1FPR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326766-A Fungicide, nematocide, insecticide, miticide DOWELANCO 1994-07-05 US disclosed
WO-1994004526-A1 4-[2-(4-(2-PYRIDINYLOXY)PHENYL)ETHOXY]-QUINAZOLINE AND ANALOGUES THEREOF DOWELANCO (US) 1994-03-03 WO disclosed