SCHEMBL9000474

SCHEMBL9000474

O=C(O)c1ncccc1C=Cc1nc(C=Cc2cccnc2C(=O)O)c(C=Cc2cccnc2C(=O)O)nc1C=Cc1cccnc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ AGER Q15109 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CYP1A2 P05177 1/20 0.45
▸ MYC P01106 1/20 0.41
▸ NAPRT Q6XQN6 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36

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
SCHEMBL6566886 0.83 KDM4E (0.50) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL6566882 0.83 KDM4E (0.50) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL9000394 0.81 L3MBTL1 (0.51) KDM4EALDH1A1L3MBTL1ALOX15NPSR1
SCHEMBL547926 0.78 KDM4E (0.57) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL1808376 0.77 KDM4E (0.47) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL1808375 0.77 KDM4E (0.47) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL7564605 0.77 KDM4E (0.47) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL754122 0.77 KDM4E (0.55) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL9000477 0.75 KDM4E (0.55) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL16239168 0.75 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1CYP3A4

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-0516409-B1 Tetravinylpyrazine compound, method for preparing same and electroluminescent element and non-linear optical material using same MITSUI TOATSU CHEMICALS (JP) 1996-09-11 — — EP disclosed
US-5416213-A Tetravinylpyrazine compound, method for preparing same and electroluminescent element and non-linear optical material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1995-05-16 — — US disclosed
EP-0516409-A2 Tetravinylpyrazine compound, method for preparing same and electroluminescent element and non-linear optical material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-02 — — EP disclosed
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