SCHEMBL9815604

SCHEMBL9815604

COc1ccc(CCN(C)C(C#N)C=Cc2cc(CN3CCOCC3)cc(OC)c2O)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 3/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 2/20 0.37
EP300 Q09472 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP2C19 P33261 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL9815610 0.87 MEN1 (0.44) MEN1KMT2AHTTTSHRKDM4E
SCHEMBL9815602 0.79 MEN1 (0.46) MEN1KMT2AHTTTSHRKDM4E
SCHEMBL9815634 0.78 CYP3A4 (0.46) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL9815609 0.70 MEN1 (0.45) MEN1KMT2AHTTKDM4EL3MBTL1
SCHEMBL7413309 0.70 GAA (0.55) HTTKDM4EALDH1A1
SCHEMBL16884088 0.69 HTT (0.76) MEN1KMT2AHTTTSHRKDM4E
SCHEMBL10899727 0.69 GAA (0.71) HTTKDM4EALDH1A1MAPK1
SCHEMBL9813087 0.66 GAA (0.50) HTTKDM4EALDH1A1MAPK1
SCHEMBL4698558 0.65 HTT (0.65) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL4145433 0.64 HTT (0.66) HTTKDM4EALDH1A1

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-0266549-B1 CINNAMYL AMINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1991-06-19 EP disclosed