SCHEMBL28801013

SCHEMBL28801013

O=C(O)CCc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 13/20 0.56
▸ THRB P10828 13/20 0.56
▸ PCNA P12004 2/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ESR1 P03372 1/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ NR3C2 P08235 1/20 0.46
▸ AR P10275 1/20 0.46
▸ FFAR1 O14842 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44

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
SCHEMBL3136070 0.86 THRA (0.45) THRATHRBMEN1KMT2APOLB
SCHEMBL3913459 0.84 THRA (0.54) THRATHRBPCNAESR1NR3C1
SCHEMBL27890955 0.82 FFAR1 (0.66) MEN1KMT2AFFAR1POLBMAPK1
SCHEMBL5073534 0.81 THRA (0.60) THRATHRBPCNAESR1NR3C1
SCHEMBL5859480 0.81 THRA (0.64) THRATHRBPCNAESR1NR3C1
SCHEMBL3911244 0.81 MEN1 (0.48) THRATHRBMEN1KMT2APOLB
SCHEMBL3133551 0.80 MEN1 (0.68) THRATHRBMEN1KMT2AFFAR1
SCHEMBL3137474 0.78 MEN1 (0.49) MEN1KMT2APOLBMAPK1KDM4E
SCHEMBL5381954 0.77 HSPB1 (0.51) MEN1KMT2APOLBMAPK1KDM4E
SCHEMBL27890925 0.77 THRA (0.51) THRATHRBMEN1KMT2APOLB

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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