SCHEMBL20204574

SCHEMBL20204574

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
GAA P10253 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
DHODH Q02127 4/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
CYP2D6 P10635 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PPID Q08752 1/20 0.46
NR1H4 Q96RI1 1/20 0.44
LMNA P02545 2/20 0.43
PLIN1 O60240 1/20 0.43
POLB P06746 1/20 0.43
PLIN5 Q00G26 1/20 0.43
ABHD5 Q8WTS1 1/20 0.43
CYP3A4 P08684 1/20 0.41
STAT1 P42224 1/20 0.40

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 0.89 MAPT (0.60) MAPTGAATDP1DHODHMEN1
SCHEMBL10144042 0.85 MEN1 (0.53) MAPTGAATDP1DHODHMEN1
SCHEMBL20204575 0.84 MEN1 (0.51) MAPTGAATDP1DHODHMEN1
SCHEMBL3562547 0.80 CDC25B (0.48) MAPTGAATDP1DHODHMEN1
SCHEMBL3562552 0.80 CDC25B (0.48) MAPTGAATDP1DHODHMEN1
SCHEMBL25882191 0.79 SMN1; SMN2 (0.44) MAPTGAATDP1DHODHMEN1
SCHEMBL3561214 0.79 MAPT (0.46) MAPTGAATDP1DHODHMEN1
SCHEMBL15955781 0.79 MAPT (0.46) MAPTGAATDP1DHODHMEN1
SCHEMBL3561212 0.79 MAPT (0.46) MAPTGAATDP1DHODHMEN1
SCHEMBL15962311 0.79 MAPT (0.46) MAPTGAATDP1DHODHMEN1

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