SCHEMBL29502324

SCHEMBL29502324

O=Cc1cc(Br)c(O)cc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 7/20 0.56
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ XDH P47989 1/20 0.46
▸ ALDH5A1 P51649 1/20 0.46
▸ ABAT P80404 1/20 0.46
▸ SNCA P37840 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 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
SCHEMBL22835866 1.00 ERN1 (0.56) ERN1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL30412897 0.85 ALDH1A1 (0.55) ERN1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL5610655 0.85 ALOX15 (0.55) ERN1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL2721914 0.83 ALDH1A1 (0.53) ERN1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL16838199 0.83 ALDH5A1 (0.55) ERN1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL16838200 0.83 ERN1 (0.55) ERN1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL16838214 0.79 ALDH5A1 (0.55) ERN1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL14691657 0.79 CA12 (0.48) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL15686380 0.79 ALDH1A1 (0.53) ERN1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL1999504 0.79 MAPT (0.49) ERN1ALDH1A1KDM4ECYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367113-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS Biogen MA Inc. (US) 2024-05-15 — — EP disclosed
WO-2023283610-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 — — WO disclosed
EP-3989966-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-05-04 — — EP disclosed
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