SCHEMBL16769701

SCHEMBL16769701

Cc1c(N2C=CN(C)[C@@H]2C)cccc1N1c2ncccc2N(C)[C@H]1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL16420348 0.89
SCHEMBL16420345 0.88 GAA (0.40) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL12092099 0.81 GAA (0.40) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL16769697 0.81 KDM4E (0.37) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL16420338 0.80 GAA (0.34) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL16420367 0.80 KDM4E (0.35) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL16420310 0.79 KDM4E (0.38) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL16420355 0.79 TSHR (0.32) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL16420353 0.77 KDM4E (0.40) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL16420331 0.77 GAA (0.36) KDM4EALDH1A1GAAHPGDALOX12

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
US-20150155501-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-06-04 US disclosed
US-20150155501-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-06-04 US disclosed