SCHEMBL30028995

SCHEMBL30028995

Nc1ccc(-n2[se]c3cc(N)ccc3c2=O)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 5/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ QSOX1 O00391 1/20 0.50
▸ RGS12 O14924 1/20 0.50
▸ PMM2 O15305 1/20 0.50
▸ PLIN1 O60240 1/20 0.50
▸ GMNN O75496 1/20 0.50
▸ BBOX1 O75936 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYBB P04839 1/20 0.50
▸ BCHE P06276 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL28665824 1.00 METAP2 (0.50) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL30573258 0.91 METAP2 (0.45) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL30573251 0.83 METAP2 (0.74) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL30029476 0.82 ALDH1A1 (0.45) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL28666608 0.82 ALDH1A1 (0.45) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL30573256 0.78 METAP2 (0.67) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL30573261 0.72 METAP2 (0.68) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL5916572 0.70 METAP2 (0.65) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL5916875 0.70 METAP2 (0.67) METAP2HDAC6KDM4EMEN1QSOX1
SCHEMBL10501663 0.70 METAP2 (0.67) METAP2HDAC6KDM4EMEN1QSOX1

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-113831302-B Benzisoselenazolone derivative and preparation method and application thereof 山东大学 2022-11-29 — — CN disclosed
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