SCHEMBL7564605

SCHEMBL7564605

O=C(O)c1ncccc1/C=C\P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ AGER Q15109 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CYP1A2 P05177 1/20 0.42
▸ MYC P01106 1/20 0.40
▸ GAA P10253 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.36
▸ FTO Q9C0B1 1/20 0.36
▸ NAPRT Q6XQN6 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7564608 0.77 ALDH1A1 (0.34) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL9000474 0.77 KDM4E (0.50) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL6566882 0.77 KDM4E (0.50) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL6566886 0.77 KDM4E (0.50) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL547926 0.75 KDM4E (0.57) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL1808375 0.74 KDM4E (0.47) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL1808376 0.74 KDM4E (0.47) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL754122 0.74 KDM4E (0.55) KDM4EALDH1A1MAPTALOX15L3MBTL1
Hydrochloric Acid SCHEMBL16239168 0.73 KDM4E (0.53) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL9549187 0.71 KDM4E (0.52) KDM4EALDH1A1MAPTALOX15L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230352-A2 INHIBITORS OF VEGETABLE CYSTATHIONIN GAMMA SYNTHASE Aventis CropScience GmbH (DE) 2002-08-14 — — EP disclosed
WO-2001032849-A2 INHIBITORS OF VEGETABLE CYSTATHIONIN GAMMA SYNTHASE AVENTIS CROPSCIENCE GMBH (DE) 2001-05-10 — — WO disclosed
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