SCHEMBL11154875

SCHEMBL11154875

c1ccc(Sc2nccc(Oc3ncccn3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ PLK4 O00444 1/20 0.35
▸ CXCL12 P48061 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PPP1CA P62136 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 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
SCHEMBL15516935 0.76 MAPK14 (0.42) MEN1KMT2APLK4HTTALDH1A1
SCHEMBL2129184 0.74 HSD17B10 (0.46) PLK4CXCL12HTTALDH1A1MAPT
SCHEMBL18154713 0.72 ALOX5AP (0.43) PLK4CXCL12HTTSMN1; SMN2HPGD
SCHEMBL31721266 0.72 NUDT1 (0.49) MEN1KMT2AAPAF1ALDH1A1RAB9A
SCHEMBL3693314 0.70 PLK4 (0.39) KMT2APLK4CXCL12HTTALDH1A1
SCHEMBL8423836 0.68 RAB9A (0.41) MEN1KMT2AAPAF1ALDH1A1SMN1; SMN2
SCHEMBL9121662 0.67 HTT (0.59) MEN1KMT2APLK4HTTGAA
SCHEMBL21609746 0.66 POLB (0.33) MEN1KMT2AAPAF1GAAALDH1A1
SCHEMBL4272019 0.65 ALDH1A1 (0.47) MEN1KMT2AAPAF1PLK4HTT
SCHEMBL9384543 0.64 KDM4E (0.50) MEN1KMT2AAPAF1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0008192-B1 BIS(PYRIMIDYLOXY)-, BIS(PYRIMIDYLTHIO)-, AND PYRIMIDYLOXY-PYRIMIDYLTHIO-BENZENE DERIVATIVES AND THEIR USE AS HERBICIDES, AND PROCESSES OF PREPARING THEM ICI AUSTRALIA LIMITED (AU) 1983-10-12 — — EP disclosed
EP-0008192-B1 BIS(PYRIMIDYLOXY)-, BIS(PYRIMIDYLTHIO)-, AND PYRIMIDYLOXY-PYRIMIDYLTHIO-BENZENE DERIVATIVES AND THEIR USE AS HERBICIDES, AND PROCESSES OF PREPARING THEM ICI AUSTRALIA LIMITED (AU) 1983-10-12 — — EP disclosed
EP-0008192-A1 Bis(pyrimidyloxy)-, bis(pyrimidylthio)-, and pyrimidyloxy-pyrimidylthio-benzene derivatives and their use as herbicides, and processes of preparing them ICI AUSTRALIA LIMITED (AU) 1980-02-20 — — EP disclosed
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