SCHEMBL28869653

SCHEMBL28869653

ClCc1nc(-c2ccc(Cl)cc2Cl)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
DPP4 P27487 1/20 0.46
GRM5 P41594 1/20 0.46
CNR1 P21554 4/20 0.46
CNR2 P34972 4/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP8 Q96LD8 1/20 0.45

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
SCHEMBL28957185 0.86 LMNA (0.50) LMNAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL91621 0.86 ALDH1A1 (0.52) LMNAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL29077276 0.84 MAPT (0.46) LMNAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL29077275 0.84 RAB9A (0.52) LMNAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL10906062 0.80 ATM (0.59) MAPTALDH1A1GRM5HPGDNPC1
SCHEMBL30566762 0.80 ATM (0.59) MAPTALDH1A1GRM5HPGDNPC1
SCHEMBL102749 0.80 CNR1 (0.46) LMNAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL29077248 0.77 NOTUM (0.39) LMNAMAPTALDH1A1L3MBTL1HPGD
SCHEMBL14363629 0.77 CASP3 (0.49) LMNAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL30566771 0.77 NOTUM (0.39) LMNAMAPTALDH1A1L3MBTL1HPGD

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