SCHEMBL21088809

SCHEMBL21088809

C=C/C=C\C=C(/C)Nc1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 10/20 0.53
▸ TP53 P04637 1/20 0.53
▸ NPC1 O15118 11/20 0.53
▸ RAB9A P51151 11/20 0.53
▸ MAPT P10636 10/20 0.53
▸ ALDH1A1 P00352 8/20 0.53
▸ GAA P10253 5/20 0.53
▸ HTT P42858 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ALOX12 P18054 1/20 0.49
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ PKM P14618 1/20 0.47

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
SCHEMBL14017499 0.72 TGM2 (0.49) NPC1RAB9AMAPTHTTKDM4E
SCHEMBL1742667 0.72 CYP1A2 (0.81) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL20456546 0.72 SMN1; SMN2 (0.68) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL13412009 0.71 POLB (0.76) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL19412850 0.71 MAPT (0.49) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL6993043 0.69 NPC1 (0.74) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL23114258 0.69 POLB (0.59) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL107421 0.69 RAB9A (1.00) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL179084 0.69 NPC1 (0.79) SMN1; SMN2TP53NPC1RAB9AMAPT
SCHEMBL179080 0.68 SMN1; SMN2 (0.72) SMN1; SMN2TP53NPC1RAB9AMAPT

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
EP-2558446-B1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2019-06-12 — — EP disclosed
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