SCHEMBL9581848

SCHEMBL9581848

CCc1ccc2c(c1)[C@@H](O)[C@H](Br)C(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 6/20 0.39
▸ KCNE1 P15382 7/20 0.37
▸ KCNQ1 P51787 7/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ ABCB1 P08183 4/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KCND3 Q9UK17 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL9581839 1.00 KCNA5 (0.39) KCNA5KCNE1KCNQ1IDO1ABCB1
SCHEMBL9581830 1.00 KCNA5 (0.39) KCNA5KCNE1KCNQ1IDO1ABCB1
SCHEMBL9197778 0.80 IDO1 (0.39) KCNA5KCNE1KCNQ1IDO1ABCB1
SCHEMBL9197769 0.80 IDO1 (0.39) KCNA5KCNE1KCNQ1IDO1ABCB1
SCHEMBL9146935 0.80 IDO1 (0.39) KCNA5KCNE1KCNQ1IDO1ABCB1
SCHEMBL7474225 0.79 KCNA5 (0.41) KCNA5KCNE1KCNQ1ABCB1MEN1
SCHEMBL7474233 0.79 KCNA5 (0.41) KCNA5KCNE1KCNQ1ABCB1MEN1
SCHEMBL7474229 0.79 KCNA5 (0.41) KCNA5KCNE1KCNQ1ABCB1MEN1
SCHEMBL8946876 0.78 IDO1 (0.38) KCNE1KCNQ1IDO1ABCB1MEN1
SCHEMBL8794829 0.78 IDO1 (0.38) KCNE1KCNQ1IDO1ABCB1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210234-A Benzopyran intermediates BEECHAM GROUP P.L.C. (GB) 1993-05-11 — — US claimed
US-5210234-A Benzopyran intermediates BEECHAM GROUP P.L.C. (GB) 1993-05-11 — — US disclosed
EP-0250077-B1 PHARMACOLOGICALLY ACTIVE BENZOPYRANES BEECHAM GROUP PLC (GB) 1992-01-02 — — EP disclosed
US-5075460-A Hypotensive agents BEECHAM GROUP PLC (GB) 1991-12-24 — — US disclosed
US-4943582-A Active compounds BEECHAM GROUP P.L.C. (GB) 1990-07-24 — — US disclosed
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