SCHEMBL20060208

SCHEMBL20060208

CN/C(Cc1ccccc1)=C1\C(=N)CC/C(=C\N(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL20060207 0.89 KMT2A (0.35) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL20060035 0.80 KDM4E (0.36) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL20059942 0.79
SCHEMBL20060031 0.78
SCHEMBL20060156 0.73
SCHEMBL20060200 0.71 KMT2A (0.45) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL20060215 0.71
SCHEMBL20059926 0.71
SCHEMBL20060129 0.70
SCHEMBL20060027 0.68

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-2595987-B1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed