SCHEMBL624239

SCHEMBL624239

COc1ccc(Br)c(OC)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
TUBB1 Q9H4B7 6/20 0.44
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43
TUBA4A P68366 4/20 0.43
TUBB4B P68371 4/20 0.43
TUBB3 Q13509 4/20 0.43
TUBB2A Q13885 4/20 0.43
TUBB8 Q3ZCM7 4/20 0.43
TUBA3E Q6PEY2 4/20 0.43
TUBA1A Q71U36 4/20 0.43
TUBA1C Q9BQE3 4/20 0.43
TUBB6 Q9BUF5 4/20 0.43
TUBB2B Q9BVA1 4/20 0.43
NQO2 P16083 3/20 0.39
ERN1 O75460 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL31166968 1.00 ALOX5AP (0.46) ALOX5APFEN1TUBB1TUBB4ATUBB
SCHEMBL3840836 0.84 ALOX5AP (0.42) ALOX5APFEN1TUBB1TUBB4ATUBB
SCHEMBL31607167 0.83 ALOX5AP (0.44) ALOX5APFEN1TUBB1TUBB4ATUBB
SCHEMBL20638722 0.83 ALOX5AP (0.41) ALOX5APFEN1TUBB1TUBB4ATUBB
SCHEMBL22208768 0.83 ALOX5AP (0.44) ALOX5APFEN1TUBB1TUBB4ATUBB
SCHEMBL16979115 0.83 ALOX5AP (0.44) ALOX5APFEN1TUBB1TUBB4ATUBB
SCHEMBL31045824 0.83 ALOX5AP (0.41) ALOX5APFEN1TUBB1TUBB4ATUBB
SCHEMBL4574409 0.83 TUBB1 (0.41) ALOX5APFEN1TUBB1NQO2ERN1
SCHEMBL31096136 0.83 TUBB1 (0.41) ALOX5APFEN1TUBB1NQO2ERN1
SCHEMBL1662632 0.82 NQO2 (0.41) TUBB1NQO2ERN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441011-B1 Energy transfer dye containing an aromatic-substituted xanthene dye as donor dye and/or acceptor dye LIFE TECHNOLOGIES CORP (US) 2012-02-22 EP disclosed
EP-1441011-A1 Energy transfer dye containing an aromatic-substituted xanthene dye as donor dye and/or acceptor dye Applera Corporation (US) 2004-07-28 EP disclosed
EP-1019453-B1 AROMATIC-SUBSTITUTED XANTHENE DYES APPLERA CORP (US) 2004-03-31 EP disclosed
EP-1019453-A1 AROMATIC-SUBSTITUTED XANTHENE DYES THE PERKIN-ELMER CORPORATION (US) 2000-07-19 EP disclosed
US-6008379-A USEFUL AS FLUORESCENT DYES FOR LABELING THE PERKIN-ELMER CORPORATION (US) 1999-12-28 US disclosed
WO-1999016832-A1 AROMATIC-SUBSTITUTED XANTHENE DYES THE PERKIN-ELMER CORPORATION (US) 1999-04-08 WO disclosed