SCHEMBL21455427

SCHEMBL21455427

CCOC(=O)Cc1ccccc1OC(/C=C(\C)Br)CC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.42
▸ PKM P14618 1/20 0.40
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CFD P00746 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL24200170 0.86 TBXAS1 (0.42) TBXAS1PKMCYP4F2CYP4A11L3MBTL1
SCHEMBL23617127 0.86 ALDH1A1 (0.36) PKML3MBTL1SMN1; SMN2TSHRALDH1A1
SCHEMBL24200089 0.85 TBXAS1 (0.42) TBXAS1PKMCYP4F2CYP4A11L3MBTL1
SCHEMBL25899417 0.85 TBXAS1 (0.40) TBXAS1PKMCYP4F2CYP4A11L3MBTL1
SCHEMBL21455691 0.84 TBXAS1 (0.42) TBXAS1PKMCYP4F2CYP4A11L3MBTL1
SCHEMBL21455716 0.83 TBXAS1 (0.37) TBXAS1PKMCYP4F2CYP4A11L3MBTL1
SCHEMBL7888801 0.80 TBXAS1 (0.49) TBXAS1PKMCYP4F2CYP4A11L3MBTL1
SCHEMBL21455539 0.80 TBXAS1 (0.36) TBXAS1PKML3MBTL1ALDH1A1
SCHEMBL21455759 0.79 L3MBTL1 (0.40) TBXAS1PKML3MBTL1TSHRALDH1A1
SCHEMBL23425588 0.78 TBXAS1 (0.47) TBXAS1PKMCYP4F2CYP4A11L3MBTL1

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
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 — — WO disclosed
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