SCHEMBL22635883

SCHEMBL22635883

COc1cc(N)ccc1C=C(C#N)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
LMNA P02545 1/20 0.66
PKM P14618 1/20 0.66
KMT2A Q03164 1/20 0.66
SLC16A3 O15427 7/20 0.64
SLC16A1 P53985 7/20 0.64
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALDH1A1 P00352 1/20 0.48
EGFR P00533 1/20 0.47

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
SCHEMBL22635882 1.00 KDM4E (0.66) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL9360940 0.84 CYP1A2 (0.78) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL9658963 0.84 PKM (0.68) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL9658958 0.84 PKM (0.68) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL17831051 0.84 KDM4E (0.68) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL8649661 0.84 CYP1A2 (0.78) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL15740335 0.80 KDM4E (1.00) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL15740336 0.80 KDM4E (1.00) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL22635876 0.79 CYP1A2 (0.48) KDM4ELMNAPKMKMT2ASLC16A3
SCHEMBL15129031 0.78 SLC16A3 (0.79) KDM4ELMNAPKMKMT2ASLC16A3

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
WO-2020225386-A1 3-(4-AMINO-2-METHOXYPHENYL)-2-CYANOACRYLIC ACID DERIVATIVES AND THE USE OF SAME AS PRECURSORS FOR THE PREPARATION OF RADIOCHEMICAL COMPOUNDS HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) 2020-11-12 WO disclosed
WO-2020225386-A1 3-(4-AMINO-2-METHOXYPHENYL)-2-CYANOACRYLIC ACID DERIVATIVES AND THE USE OF SAME AS PRECURSORS FOR THE PREPARATION OF RADIOCHEMICAL COMPOUNDS HELMHOLTZ-ZENTRUM DRESDEN-ROSSENDORF E.V. (DE) 2020-11-12 WO disclosed