SCHEMBL28512154

SCHEMBL28512154

O=C(ON=C(CC1CCCC1)C(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
POLB P06746 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL15960798 0.87 POLB (0.37) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL17644162 0.87 POLB (0.37) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL17070002 0.87 POLB (0.37) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL29395635 0.87 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9APKMALDH1A1
SCHEMBL28408599 0.86 HPGD (0.39) SMN1; SMN2NPC1RAB9AMAPTPKM
SCHEMBL31621087 0.86 POLB (0.39) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL17540445 0.86 POLB (0.39) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL17069998 0.86 POLB (0.39) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL28034478 0.84 POLB (0.35) SMN1; SMN2KDM4ENPC1RAB9AMAPT
SCHEMBL28831705 0.83 NPC1 (0.38) SMN1; SMN2KDM4ENPC1RAB9AMAPT

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
CN-105589297-B Colored curable resin composition 住友化学株式会社 2021-02-19 CN disclosed