SCHEMBL29096533

SCHEMBL29096533

O=[N+]([O-])C(=Cc1ccccc1O)Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
FBP1 P09467 1/20 0.39
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALOX12 P18054 1/20 0.37
PIK3CA P42336 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL29096530 1.00 MAPT (0.40) MAPTMAPK1MEN1KMT2AFBP1
SCHEMBL29096544 0.88 ADORA2A (0.41) MEN1KMT2AFBP1RAB9ANPC1
SCHEMBL29096547 0.88 ADORA2A (0.41) MEN1KMT2AFBP1RAB9ANPC1
SCHEMBL29096535 0.86 ERN1 (0.45) MAPTMAPK1MEN1KMT2AFBP1
SCHEMBL29096531 0.86 ERN1 (0.45) MAPTMAPK1MEN1KMT2AFBP1
SCHEMBL29096536 0.84 ALDH1A1 (0.47) MAPTMAPK1MEN1KMT2AFBP1
SCHEMBL29096534 0.84 ALDH1A1 (0.47) MAPTMAPK1MEN1KMT2AFBP1
SCHEMBL29096542 0.79 MEN1 (0.45) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29096529 0.77 TRIM24 (0.42) MAPTMAPK1MEN1KMT2AFBP1
SCHEMBL29096527 0.77 TRIM24 (0.42) MAPTMAPK1MEN1KMT2AFBP1

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-116693552-A Polycyclic dihydrobenzofuran compound and preparation method thereof 浙江大学 2023-09-05 CN disclosed