SCHEMBL19903679

SCHEMBL19903679

C=C/C=C\c1c(C)n(-c2ccccc2)c2c1ccc1c3ccccc3n(-c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c3C#N)c12

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL19903684 0.85 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL19912398 0.82 KDM4E (0.37) KDM4EALDH1A1HTTHSD17B10
SCHEMBL20617079 0.80 RXRA (0.40) KDM4EALDH1A1
SCHEMBL25132238 0.80 KDM4E (0.42) KDM4EALDH1A1HTT
SCHEMBL24684886 0.78 KDM4E (0.35) KDM4E
SCHEMBL19993501 0.78 KDM4E (0.39) KDM4EALDH1A1
SCHEMBL22460115 0.76 KDM4E (0.33) KDM4E
SCHEMBL20829852 0.75
SCHEMBL19903463 0.75 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL19903574 0.75 ALKBH5 (0.39) KDM4EALDH1A1HTT

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-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP disclosed