SCHEMBL10432575

SCHEMBL10432575

COc1ccc(-c2cc(=O)c3c(N)ccc(OC)c3o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 3/20 0.62
▸ CYP1A1 P04798 2/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ ALDH1A1 P00352 6/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ CYP3A4 P08684 4/20 0.60
▸ ABCB1 P08183 3/20 0.60
▸ ABCG2 Q9UNQ0 3/20 0.60
▸ PKM P14618 1/20 0.60
▸ APP P05067 2/20 0.57
▸ TUBB4A P04350 1/20 0.56
▸ TUBB P07437 1/20 0.56
▸ TUBA3C P0DPH7 1/20 0.56
▸ TUBA1B P68363 1/20 0.56
▸ TUBA4A P68366 1/20 0.56
▸ TUBB4B P68371 1/20 0.56
▸ TUBB3 Q13509 1/20 0.56
▸ TUBB2A Q13885 1/20 0.56
▸ TUBB8 Q3ZCM7 1/20 0.56

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
SCHEMBL10432914 0.91 TERT (0.54) CYP1B1CYP1A1CYP1A2ALDH1A1MEN1
SCHEMBL10339009 0.88 CYP1B1 (0.61) CYP1B1CYP1A1CYP1A2ALDH1A1MEN1
SCHEMBL10432903 0.88 ABCB1 (0.66) CYP1B1CYP1A1CYP1A2ALDH1A1MEN1
SCHEMBL10432787 0.86 LCK (0.56) CYP1B1CYP1A1CYP1A2ALDH1A1MEN1
SCHEMBL10433067 0.86 TERT (0.50) CYP1B1CYP1A1CYP1A2ALDH1A1MEN1
SCHEMBL10432915 0.79 MAPT (0.53) CYP1B1CYP1A1CYP1A2ALDH1A1MEN1
SCHEMBL10432576 0.79 ALDH1A1 (0.64) CYP1B1CYP1A1CYP1A2ALDH1A1MEN1
SCHEMBL10432584 0.78 ESR1 (0.68) CYP1B1CYP1A1CYP1A2ALDH1A1MEN1
SCHEMBL987020 0.77 ALDH1A1 (0.73) CYP1B1CYP1A1CYP1A2ALDH1A1MEN1
SCHEMBL31238014 0.77 ALDH1A1 (0.73) CYP1B1CYP1A1CYP1A2ALDH1A1MEN1

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-0374789-A1 5- Aminoflavone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-06-27 — — EP disclosed
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