SCHEMBL28246554

SCHEMBL28246554

O=C(OCCC1CCOCC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
KMT2A Q03164 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ATM Q13315 2/20 0.43
MEN1 O00255 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL18759619 0.89 TDP1 (0.61) TDP1LMNAMAPK1HIF1AKMT2A
SCHEMBL14402754 0.89 TDP1 (0.61) TDP1LMNAMAPK1HIF1AKMT2A
SCHEMBL28803760 0.84 TDP1 (0.56) TDP1LMNAMAPK1HIF1AKMT2A
SCHEMBL8470979 0.82 LMNA (0.63) TDP1LMNAMAPK1HIF1AKMT2A
SCHEMBL2776358 0.82 TDP1 (0.53) TDP1LMNAMAPK1HIF1AKMT2A
SCHEMBL27463287 0.81 LMNA (0.61) TDP1LMNAMAPK1HIF1AKMT2A
Hydrochloric Acid SCHEMBL27944480 0.81 TDP1 (0.51) TDP1LMNAMAPK1HIF1AKMT2A
SCHEMBL3678120 0.78 HDAC3 (0.57) TDP1KMT2AMEN1RAB9A
SCHEMBL8727360 0.78 TDP1 (0.49) TDP1LMNAMAPK1HIF1AKMT2A
SCHEMBL21820641 0.78 TDP1 (0.71) TDP1LMNAMAPK1HIF1AKMT2A

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-104693193-B Aryl methoxy isoindoline derivative and composition and their application method including it 细胞基因公司 2018-09-18 CN disclosed