SCHEMBL29642883

SCHEMBL29642883

COc1ccc(-c2cnoc2-c2ccc(OC)c3ccccc23)cc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
PTGS2 P35354 5/20 0.44
PTGS1 P23219 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CHEK1 O14757 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL28451638 1.00 L3MBTL1 (0.49) L3MBTL1PTGS2PTGS1HPGDLMNA
SCHEMBL28447862 0.88 CHEK1 (0.44) L3MBTL1HPGDNPSR1ALOX5APFEN1
SCHEMBL29642634 0.88 ACACA (0.46) L3MBTL1HPGDLMNANPSR1SMN1; SMN2
SCHEMBL28452953 0.88 ACACA (0.46) L3MBTL1HPGDLMNANPSR1SMN1; SMN2
SCHEMBL28448880 0.86 KIT (0.45) L3MBTL1PDGFRBPDGFRAGSK3AGSK3B
SCHEMBL29642725 0.86 KIT (0.45) L3MBTL1PDGFRBPDGFRAGSK3AGSK3B
SCHEMBL28452528 0.86 PIM1 (0.44) L3MBTL1HPGDNPSR1NFKB1SMN1; SMN2
SCHEMBL29642685 0.85 CHEK1 (0.40) L3MBTL1HPGDNPSR1SMN1; SMN2PDGFRA
SCHEMBL28448920 0.84 CHEK1 (0.45) LMNAMAPK1SMN1; SMN2PDGFRBPDGFRA
SCHEMBL28450068 0.84 MEN1 (0.56) L3MBTL1HPGDLMNASMN1; SMN2CHEK1

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-111205236-B Naphthalene ring-isoxazole type compound and preparation method and application thereof 贵州医科大学 2022-07-01 CN disclosed