SCHEMBL8441520

SCHEMBL8441520

NCCNc1ccc(N=Nc2ccc(OCc3ccccc3)cc2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.42
▸ MAOB P27338 3/20 0.41
▸ MAPT P10636 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ LTA4H P09960 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA3 P07451 1/20 0.38

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
SCHEMBL8441133 0.84 IDO1 (0.45) IDO1MAPTL3MBTL1GAARAB9A
SCHEMBL8817990 0.84 CHEK1 (0.47) IDO1MAPTL3MBTL1GAASMN1; SMN2
SCHEMBL8817997 0.84 CHEK1 (0.47) IDO1MAPTL3MBTL1GAASMN1; SMN2
SCHEMBL8441211 0.84 IDO1 (0.54) IDO1MAPTL3MBTL1GAASMN1; SMN2
SCHEMBL8441204 0.84 IDO1 (0.54) IDO1MAPTL3MBTL1GAASMN1; SMN2
SCHEMBL8439697 0.79 IDO1 (0.49) IDO1MAPTL3MBTL1GAARAB9A
SCHEMBL8441513 0.77 MAOB (0.43) MAOBMAPTL3MBTL1GAAMAOA
SCHEMBL8275182 0.76 IDO1 (0.46) IDO1MAPTL3MBTL1GAARAB9A
SCHEMBL8441871 0.76 FERMT2 (0.49) IDO1MAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL8437411 0.76 FERMT2 (0.49) IDO1MAPTL3MBTL1RAB9ASMN1; 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-5955472-A INHIBITION OF AMYLOID AGGREGATION IN ANIMALS AND PREVENTION OF ALZHEIMER'S DISEASE WARNER-LAMBERT COMPANY (US) 1999-09-21 — — US claimed
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