SCHEMBL30758587

SCHEMBL30758587

O=C1c2ccccc2C(=O)N1c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 1.00
HPN P05981 1/20 0.66
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.52
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52
BCL2A1 Q16548 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
NR1H3 Q13133 1/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL11669113 1.00 SCN2A (1.00) SCN2AHPNCA12CA1CA2
SCHEMBL7281976 0.91 SCN2A (0.83) SCN2AHPNCA12CA1CA2
SCHEMBL10381359 0.90 SCN2A (0.82) SCN2AHPNCA12CA1CA2
SCHEMBL9468420 0.85 SCN2A (0.74) SCN2AHPNCA12CA1CA2
SCHEMBL9330406 0.83 SCN2A (0.71) SCN2AHPNCA12CA1CA2
SCHEMBL5144919 0.83 SCN2A (0.70) SCN2AHPNCA12CA1CA2
SCHEMBL406359 0.82 CA12 (0.72) SCN2ACA12CA1CA2CA9
SCHEMBL11836629 0.81 SCN2A (0.68) SCN2AHPNCA12CA1CA2
SCHEMBL1973251 0.81 SCN2A (1.00) SCN2ACA12CA1CA2CA9
SCHEMBL30118348 0.81 SCN2A (1.00) SCN2ACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466799-B N-substituted phthalic acid diamide preparation method of imine compound 西北师范大学 2024-12-24 CN disclosed
CN-117466799-A Preparation method of N-substituted phthalimide compound 西北师范大学 2024-01-30 CN disclosed