SCHEMBL27890925

SCHEMBL27890925

COC(=O)Nc1ccc(Oc2c(Br)cc(CCC(=O)O)cc2Br)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 3/20 0.51
▸ THRB P10828 3/20 0.51
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ PKM P14618 3/20 0.48
▸ NPC1 O15118 8/20 0.45
▸ RAB9A P51151 8/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ POLB P06746 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
SCHEMBL3920011 0.92 MEN1 (0.52) THRATHRBMEN1KMT2APKM
SCHEMBL3912255 0.84 KMT2A (0.52) THRATHRBMEN1KMT2APKM
SCHEMBL3913459 0.81 THRA (0.54) THRATHRBMAPK1POLB
SCHEMBL4099188 0.80 KMT2A (0.49) MEN1KMT2APKMNPC1RAB9A
SCHEMBL4099186 0.79 MEN1 (0.52) MEN1KMT2APKMNPC1RAB9A
SCHEMBL5858736 0.78 THRB (0.52) THRATHRB
SCHEMBL28801013 0.77 THRA (0.56) THRATHRBMEN1KMT2AMAPK1
SCHEMBL3909957 0.76 KMT2A (0.46) THRATHRBMEN1KMT2APKM
SCHEMBL3910714 0.76 KMT2A (0.46) THRATHRBMEN1KMT2APKM
SCHEMBL3914991 0.76 MAPT (0.52) MEN1KMT2APKMNPC1RAB9A

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-102718718-B Preparation method for 3,5-dibromo-4-(5-benzimidazole oxygen group)phenylacetic acid UNIV SHAOXING 2014-09-24 — — CN disclosed
CN-102718718-A Preparation method for 3,5-dibromo-4-(5-benzimidazole oxygen group)phenylacetic acid UNIV SHAOXING 2012-10-10 — — CN disclosed
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