SCHEMBL20429128

SCHEMBL20429128

COc1ccc(N=Nc2ccc(O)cc2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.51
▸ GLB1 P16278 1/20 0.50
▸ CTRB1 P17538 1/20 0.50
▸ CTRC Q99895 1/20 0.50
▸ MEN1 O00255 5/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ HSP90AA1 P07900 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ PTGS2 P35354 3/20 0.48
▸ CTSL P07711 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ EGFR P00533 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL16204344 0.81 PTGS1 (0.49) PTGS1GLB1CTRB1CTRCMEN1
SCHEMBL20429103 0.81 PTGS1 (0.49) PTGS1GLB1CTRB1CTRCMEN1
SCHEMBL17224277 0.79 TUBB1 (0.53) PTGS1MEN1NPC1KMT2ARAB9A
SCHEMBL17224276 0.79 TUBB1 (0.53) PTGS1MEN1NPC1KMT2ARAB9A
SCHEMBL29692497 0.79 ALOX5 (0.57) MEN1KMT2AL3MBTL1PTGS2CTSL
SCHEMBL517614 0.79 ALOX5 (0.57) MEN1KMT2AL3MBTL1PTGS2CTSL
SCHEMBL6641490 0.77 ESR2 (0.50) MEN1KMT2APTGS2CTSLALDH1A1
SCHEMBL20436095 0.76 GLB1 (0.59) PTGS1GLB1CTRB1CTRCMEN1
SCHEMBL17224354 0.75 CYP3A4 (0.55) PTGS1GLB1CTRB1CTRCMEN1
SCHEMBL17224357 0.75 CYP3A4 (0.55) PTGS1GLB1CTRB1CTRCMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3355120-A1 TONER AND IMAGE FORMATION METHOD Konica Minolta, Inc. (JP) 2018-08-01 — — EP disclosed
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