SCHEMBL28869644

SCHEMBL28869644

Cc1ccc(-c2noc(CCCBr)n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.75
TDP1 Q9NUW8 4/20 0.68
ATM Q13315 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC1 Q13547 1/20 0.59
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52

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
SCHEMBL11637969 0.90 TDP1 (0.62) SIRT2TDP1ATML3MBTL1HDAC2
SCHEMBL24326634 0.86 TDP1 (0.69) SIRT2TDP1ATML3MBTL1HDAC2
SCHEMBL6325567 0.84 SIRT2 (0.75) SIRT2TDP1ATML3MBTL1LMNA
SCHEMBL24326051 0.84 TDP1 (0.68) SIRT2TDP1ATML3MBTL1HDAC2
SCHEMBL10173253 0.83 SMN1; SMN2 (0.59) TDP1ATML3MBTL1MAPTLMNA
SCHEMBL16975850 0.82 SMN1; SMN2 (0.71) TDP1ATML3MBTL1HDAC2HDAC8
SCHEMBL24326628 0.82 TDP1 (0.64) SIRT2TDP1ATML3MBTL1HDAC2
SCHEMBL11920075 0.81 TDP1 (0.62) SIRT2TDP1ATML3MBTL1HDAC2
SCHEMBL19835591 0.81 TDP1 (0.62) SIRT2TDP1ATML3MBTL1HDAC2
SCHEMBL14679168 0.81 TDP1 (0.62) TDP1ATML3MBTL1HDAC2HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093377-A Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof 贵州大学 2022-09-23 CN claimed
CN-115093377-B Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof 贵州大学 2023-04-07 CN disclosed
CN-115093377-A Haloalkyl-containing 1,2, 4-oxadiazole derivative and preparation method and application thereof 贵州大学 2022-09-23 CN disclosed