SCHEMBL10564660

SCHEMBL10564660

COc1cc(-c2cc(=O)n(C)c(=O)n2C)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 4/20 0.47
▸ NQO2 P16083 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40
▸ TUBB3 Q13509 2/20 0.40
▸ TUBB2A Q13885 2/20 0.40

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
SCHEMBL10562633 0.84 L3MBTL1 (0.40) CYP19A1NQO2ALDH1A1GAAHTT
SCHEMBL10568294 0.82 TSHR (0.50) CYP19A1NQO2ALDH1A1GAAHTT
SCHEMBL10566461 0.76 CYP19A1 (0.49) CYP19A1NQO2ALDH1A1HTTTHRB
SCHEMBL10566842 0.74 MAPK1 (0.54) CYP19A1NQO2ALDH1A1HTTL3MBTL1
SCHEMBL10566848 0.74 MAPK1 (0.54) CYP19A1NQO2ALDH1A1HTTL3MBTL1
SCHEMBL10364624 0.73 L3MBTL1 (0.40) CYP19A1NQO2ALDH1A1GAAHTT
SCHEMBL10568707 0.71 CYP19A1 (0.41) CYP19A1ALDH1A1L3MBTL1PDE3BPDE3A
SCHEMBL10568700 0.71 CYP19A1 (0.41) CYP19A1ALDH1A1L3MBTL1PDE3BPDE3A
SCHEMBL10725957 0.71 PDGFRB (0.45) ALDH1A1HTTTUBB4ATUBBTUBA3C
SCHEMBL10564839 0.69 HPGD (0.51) ALDH1A1L3MBTL1KDM4EHSD17B10HPGD

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-4824851-A Pyrimidones as cardiotonic, anti hypertensive, cerebrovascular vasodilator and anti-platelet agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-25 — — US disclosed
EP-0123402-B1 PYRIMIDINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 — — EP disclosed
US-4746664-A Substituted-3,4-dihydro-4-(2,4,6-trimethoxyphenylimino)-2(1H)-pyrimidones useful as cardiotonic, antihypertensive, cerebrovascular vasodilator and anti-platelet agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-24 — — US disclosed
US-4612376-A Substituted-3,4-dihydro-4-(2,4,6-trimethoxyphenylimino)-2(1H)-pyrimidones useful as cardiotonic, antihypertensive, cerebrovascular vasodilator and anti-platelet agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-09-16 — — US disclosed
EP-0123402-A2 Pyrimidine derivatives, preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 — — EP disclosed
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