SCHEMBL29096548

SCHEMBL29096548

COc1ccc(O)c(C=C(Cc2ccccc2)[N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.51
MAOB P27338 3/20 0.49
ERN1 O75460 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
MGLL Q99685 1/20 0.40
APP P05067 1/20 0.40
TSHR P16473 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 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
SCHEMBL29096545 1.00 ADORA2A (0.51) ADORA2AMAOBERN1MEN1KMT2A
SCHEMBL29096557 0.84 ERN1 (0.54) MAOBERN1MEN1KMT2ACA2
SCHEMBL29096556 0.84 ERN1 (0.54) MAOBERN1MEN1KMT2ACA2
SCHEMBL29096551 0.83 MEN1 (0.50) MAOBERN1MEN1KMT2A
SCHEMBL29096550 0.83 MEN1 (0.50) MAOBERN1MEN1KMT2A
SCHEMBL29096521 0.83 CA1 (0.43) MAOBMEN1KMT2AALPGCA2
SCHEMBL29096524 0.83 CA1 (0.43) MAOBMEN1KMT2AALPGCA2
SCHEMBL29096536 0.81 ALDH1A1 (0.47) ADORA2AMAOBERN1MEN1KMT2A
SCHEMBL29096547 0.80 ADORA2A (0.41) ADORA2AMAOBMEN1KMT2ACA2
SCHEMBL29096544 0.80 ADORA2A (0.41) ADORA2AMAOBMEN1KMT2ACA2

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