SCHEMBL28757191

SCHEMBL28757191

C=CCC1(I)C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
IDH1 O75874 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
SCHEMBL5430446 0.81 L3MBTL1 (0.31) L3MBTL1
SCHEMBL8754613 0.80 L3MBTL1 (0.30) L3MBTL1
SCHEMBL28803790 0.80 KDM1A (0.31)
SCHEMBL31738457 0.79 MEN1 (0.30)
SCHEMBL27875440 0.79
SCHEMBL9724884 0.79 MEN1 (0.30)
SCHEMBL29106747 0.78 LMNA (0.31)
SCHEMBL28600453 0.75 IDH1 (0.32) IDH1
SCHEMBL5718723 0.75 KDM4E (0.31)
SCHEMBL28041760 0.75

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-100335454-C Dphenylacetylene derivative and its preparation method and uses UNIV TSINGHUA (CN) 2007-09-05 CN disclosed
CN-1730452-A Dphenylacetylene derivative and its preparation method and uses UNIV TSINGHUA (CN) 2006-02-08 CN disclosed