SCHEMBL20204575

SCHEMBL20204575

CCOC(=O)/C(=C/NCc1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
CYP2D6 P10635 2/20 0.49
ALDH1A1 P00352 1/20 0.49
DHODH Q02127 3/20 0.48
PPID Q08752 1/20 0.48
NR1H4 Q96RI1 1/20 0.46
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 2/20 0.42
STAT1 P42224 1/20 0.42
PLIN1 O60240 1/20 0.42
POLB P06746 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42

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
SCHEMBL10861896 0.91 MAPT (0.60) MEN1KMT2AMAPTGAATDP1
SCHEMBL10144042 0.87 MEN1 (0.53) MEN1KMT2AMAPTGAATDP1
SCHEMBL19255773 0.86 SMN1; SMN2 (0.48) MEN1KMT2AMAPTGAATDP1
SCHEMBL20204574 0.84 MAPT (0.52) MEN1KMT2AMAPTGAATDP1
SCHEMBL15962311 0.81 MAPT (0.46) MEN1KMT2AMAPTGAATDP1
SCHEMBL3561212 0.81 MAPT (0.46) MEN1KMT2AMAPTGAATDP1
SCHEMBL3561214 0.81 MAPT (0.46) MEN1KMT2AMAPTGAATDP1
SCHEMBL15955781 0.81 MAPT (0.46) MEN1KMT2AMAPTGAATDP1
SCHEMBL3562552 0.80 CDC25B (0.48) MEN1KMT2AMAPTGAATDP1
SCHEMBL3562547 0.80 CDC25B (0.48) MEN1KMT2AMAPTGAATDP1

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
WO-2018096510-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 WO disclosed