SCHEMBL9570945

SCHEMBL9570945

O=[C]c1c(Br)cccc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
PARP1 P09874 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
PIM1 P11309 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CDK5 Q00535 1/20 0.31
ROCK1 Q13464 1/20 0.31
DYRK1A Q13627 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
CA7 P43166 1/20 0.31
PLCG1 P19174 1/20 0.31

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
SCHEMBL9242790 0.85
SCHEMBL910129 0.83 CYP1A2 (0.35) ALDH1A1
SCHEMBL3185584 0.71 CYP3A4 (0.41) CA1CA2CA9CYP3A4CA7
SCHEMBL1343169 0.71 DYRK1A (0.42) ALDH1A1CYP3A4GAADYRK1AMAPK1
SCHEMBL22288144 0.71 ALDH1A1 (0.33) CA1CA2ALDH1A1CA9CA12
SCHEMBL18245345 0.71 ALDH1A1 (0.33) ALDH1A1AHRMAPK1
SCHEMBL94460 0.70 GAA (0.33) CA1CA2CA4CA6GAA
SCHEMBL9819737 0.69 ALDH1A1 (0.44) CA1CA2ALDH1A1CA9CYP3A4
SCHEMBL95291 0.69
SCHEMBL8098752 0.67 JAK2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2826802-B1 METHOD FOR PRODUCING RING-OPENING METATHESIS POLYMER HYDRIDE, AND RESIN COMPOSITION ZEON CORP (JP) 2021-03-10 EP disclosed
US-20180127520-A1 METHOD FOR PRODUCING RING-OPENING METATHESIS POLYMER HYDRIDE, AND RESIN COMPOSITION ZEON CORPORATION (JP) 2018-05-10 US disclosed
US-9850325-B2 Method for producing ring-opening metathesis polymer hydride, and resin composition ZEON CORPORATION (JP) 2017-12-26 US disclosed
US-20150051353-A1 METHOD FOR PRODUCING RING-OPENING METATHESIS POLYMER HYDRIDE, AND RESIN COMPOSITION ZEON CORPORATION (JP) 2015-02-19 US disclosed
EP-2826802-A1 METHOD FOR PRODUCING RING-OPENING METATHESIS POLYMER HYDRIDE, AND RESIN COMPOSITION Zeon Corporation (JP) 2015-01-21 EP disclosed
EP-0547690-A1 Use of 17B-acyl-4-aza-5alpha-androst-1-en-3-ones for the preparation of a medicament for the prevention of prostatic carcinoma MERCK & CO. INC. (US) 1993-06-23 EP disclosed
US-5151429-A Enzyme inhibitors, skin disorders and antiandrogens MERCK & CO., INC. (US) 1992-09-29 US disclosed
US-5138063-A Testosterone reductase inhibitors MERCK & CO., INC. (US) 1992-08-11 US disclosed
US-5120742-A Androstanes as enzyme inhibitors MERCK & CO., INC. (US) 1992-06-09 US disclosed
US-5049562-A Enzyme inhibitors, antiandrogens MERCK & CO., INC. (US) 1991-09-17 US disclosed
EP-0414490-A2 17 Beta-acyl-4-aza-5 alpha-androst-1-ene-3-one as 5 alpha-reductase inhibitors MERCK & CO. INC. (US) 1991-02-27 EP disclosed
EP-0414491-A2 17 Beta-acyl-4-aza-5 alpha-androst-1-ene-3-ones as 5 alpha-reductase inhibitors MERCK & CO. INC. (US) 1991-02-27 EP disclosed
US-4859681-A 17 α-Acyl-4-aza-5a-androst-1-en-3-ones as 5 alpha-reductase inhibitors MERCK & CO., INC. (US) 1989-08-22 US disclosed
EP-0271219-A1 Topical pharmaceutical composition containing 17-beta-methoxycarbonyl-4-methyl-4-aza-5-alpha-androst-1-en-3-one MERCK & CO. INC. (US) 1988-06-15 EP disclosed
EP-0155096-A2 17 Beta-Substituted-4-aza-5-alpha-androstenones and their use as 5-alpha-reductase inhibitors MERCK & CO. INC. (US) 1985-09-18 EP disclosed