SCHEMBL26704136

SCHEMBL26704136

O=C(NCc1cccc[n+]1[O-])c1cccc(-c2ccc(O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ EPHX2 P34913 2/20 0.49
▸ NR1H4 Q96RI1 1/20 0.49
▸ ERN1 O75460 1/20 0.46
▸ CFD P00746 1/20 0.45
▸ EGFR P00533 2/20 0.43
▸ SENP1 Q9P0U3 2/20 0.43
▸ ERCC5 P28715 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ AURKA O14965 1/20 0.42

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
SCHEMBL26617213 0.93 EPHX2 (0.56) EPHX2NR1H4ERN1CFDSENP1
SCHEMBL26617216 0.91 EPHX2 (0.49) EPHX2NR1H4ERN1CFDSENP1
SCHEMBL26617227 0.89 AURKA (0.49) EPHX2NR1H4ERN1CFDSENP1
SCHEMBL26617205 0.89 EPHX2 (0.48) EPHX2NR1H4ERN1CFDSENP1
SCHEMBL26617245 0.87 BCL2L1 (0.48) EPHX2NR1H4ERN1CFDHDAC8
SCHEMBL26617195 0.87 EPHX2 (0.47) MEN1KMT2AEPHX2NR1H4CFD
SCHEMBL26617230 0.86 NR1H4 (0.46) MEN1KMT2AEPHX2NR1H4CFD
SCHEMBL26617246 0.86 EPHX2 (0.51) EPHX2NR1H4CFDSENP1AURKA
SCHEMBL26617249 0.86 EPHX2 (0.44) EPHX2NR1H4ERN1CFDSENP1
SCHEMBL26617185 0.86 DRD4 (0.49) MEN1KMT2AEPHX2NR1H4CFD

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
WO-2023211195-A1 N-OXIDE COMPOUNDS AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2023-11-02 — — WO disclosed
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