SCHEMBL12700545

SCHEMBL12700545

C[C@H]1C=C(N(C)c2ccccc2)C=CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CHKA P35790 1/20 0.30
NR3C2 P08235 1/20 0.30

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
SCHEMBL12700629 0.89 APP (0.32)
SCHEMBL12700630 0.84 HPGD (0.32)
SCHEMBL13177310 0.84 CHKA (0.35) CHKANR3C2
SCHEMBL24832148 0.78 ALDH1A1 (0.34) MEN1KMT2A
SCHEMBL19074911 0.78 ALDH1A1 (0.34) MEN1KMT2A
SCHEMBL19774481 0.78 CYP2C19 (0.33)
SCHEMBL14907321 0.76 ALDH1A1 (0.30)
SCHEMBL18900853 0.75
SCHEMBL13679709 0.75
SCHEMBL7884764 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891121-B1 ORGANIC ELECTROLUMINESCENT ELEMENTS TDK CORP (JP) 2012-09-26 EP disclosed