SCHEMBL10562633

SCHEMBL10562633

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ GAA P10253 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ NQO2 P16083 2/20 0.39
▸ APOBEC3G Q9HC16 2/20 0.39
▸ MPI P34949 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ S100B P04271 1/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38

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
SCHEMBL10564660 0.84 CYP19A1 (0.47) L3MBTL1KDM4EHSD17B10HTTPDE3B
SCHEMBL10567603 0.83 KDM4E (0.42) L3MBTL1KDM4EHSD17B10GAAKMT2A
SCHEMBL10568135 0.78 CYP19A1 (0.40) KDM4EHSD17B10HTTMEN1KMT2A
SCHEMBL10567037 0.76 ALDH1A1 (0.43) KDM4EHSD17B10HTTMEN1KMT2A
SCHEMBL10364534 0.75 S100B (0.36) L3MBTL1KDM4EHSD17B10HTTALDH1A1
SCHEMBL10566842 0.74 MAPK1 (0.54) L3MBTL1HTTPDE3BPDE3AMEN1
SCHEMBL10566848 0.74 MAPK1 (0.54) L3MBTL1HTTPDE3BPDE3AMEN1
SCHEMBL10731467 0.73 PDGFRB (0.44) HTTMEN1KMT2AALDH1A1TDP1
SCHEMBL10568707 0.72 CYP19A1 (0.41) L3MBTL1KDM4EPDE3BPDE3AMEN1
SCHEMBL10568700 0.72 CYP19A1 (0.41) L3MBTL1KDM4EPDE3BPDE3AMEN1

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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