SCHEMBL28449486

SCHEMBL28449486

O=C1c2ccccc2C(=O)N1CCCC/C=C\CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GLS O94925 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
MEN1 O00255 1/20 0.53
CHRM2 P08172 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL4581242 1.00 TDP1 (0.59) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL16295516 0.92 SMN1; SMN2 (0.51) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL16295518 0.92 SMN1; SMN2 (0.51) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL28985362 0.92 MGLL (0.55) TDP1L3MBTL1CYP1A2CYP2C19MEN1
SCHEMBL8008707 0.90 MGLL (0.62) TDP1L3MBTL1
SCHEMBL8008712 0.90 MGLL (0.62) TDP1L3MBTL1
SCHEMBL18396493 0.90 TDP1 (0.53) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL17732266 0.90 TDP1 (0.53) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL18396492 0.90 TDP1 (0.53) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL17732265 0.90 TDP1 (0.53) TDP1L3MBTL1MAPTRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109794292-B Z-selective ruthenium carbene olefin metathesis catalyst, and preparation method and application thereof 天津大学 2021-12-07 CN disclosed
CN-108659049-B Z-selective ruthenium olefin metathesis catalyst, preparation method and application 天津大学 2020-09-01 CN disclosed