SCHEMBL28129482

SCHEMBL28129482

O=CN/C(=C\C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL10755439 0.75 KDM4E (0.34) KDM4ETSHR
SCHEMBL2011134 0.75 TSHR (0.42) KDM4ETSHR
SCHEMBL2011132 0.75 TSHR (0.42) KDM4ETSHR
SCHEMBL2011129 0.75 TSHR (0.42) KDM4ETSHR
SCHEMBL28858723 0.70 KDM4E (0.39) KDM4ETSHR
SCHEMBL23829843 0.68
SCHEMBL9033677 0.68
SCHEMBL31122193 0.67 CRBN (0.36) KDM4ETSHR
SCHEMBL11144350 0.65 KDM5B (0.30)
SCHEMBL5838433 0.65

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
CN-106459024-B Cyclopropyl amine compounds and application thereof 武田药品工业株式会社 2019-11-05 CN disclosed
CN-106459024-A Cyclopropanamine compound and use thereof 武田药品工业株式会社 2017-02-22 CN disclosed