SCHEMBL8802603

SCHEMBL8802603

O=C(O)c1cccc(Oc2ncccn2)c1Oc1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ AGER Q15109 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NAPRT Q6XQN6 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ HTT P42858 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ PTK2B Q14289 1/20 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
SCHEMBL118736 0.84 HTT (0.56) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL30867034 0.84 HTT (0.56) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL29286 0.82 KDM4E (0.44) MAPK1KDM4ETDP1ALDH1A1CYP3A4
SCHEMBL7841693 0.79 CA12 (0.52) ALDH1A1KMT2AMEN1
Phenol SCHEMBL29212150 0.79 HTT (0.50) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL28080607 0.75 HTT (0.62) MAPK1KDM4ETDP1ALDH1A1MAPT
SCHEMBL9275209 0.75 ELANE (0.44) KDM4ETDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL8427946 0.75 MAPT (0.54) KDM4ETDP1ALDH1A1MAPTL3MBTL1
SCHEMBL1401811 0.74 CTNNB1 (0.58) MAPK1KDM4ETDP1ALDH1A1MAPT
SCHEMBL547649 0.74 KDM4E (0.53) KDM4ETDP1ALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0472113-B1 Pyrimidine derivatives and herbicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-04-16 — — EP disclosed
US-5154750-A PYRIMIDIEN DERIVATIVES AND HERBICIDAL COMPOSITIONS CONTAINING THE SAME KUMIAI CHEMICAL INDUSTRY CO. LTD. (JP) 1992-10-13 — — US disclosed
US-5114463-A Bispyrimidinyloxybenzoic acids KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-05-19 — — US disclosed
EP-0472113-A1 Pyrimidine derivatives and herbicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-02-26 — — EP disclosed
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