SCHEMBL11474142

SCHEMBL11474142

CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OCc1cccc(C(=O)c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MRGPRX4 Q96LA9 11/20 0.48
ALDH1A1 P00352 2/20 0.38
NTRK1 P04629 1/20 0.38
NR1I2 O75469 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 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
SCHEMBL11460158 0.90 MRGPRX4 (0.41) MAPTMEN1KMT2ALMNATP53
SCHEMBL11480934 0.87 MAPT (0.53) MAPTMEN1KMT2ALMNATP53
SCHEMBL11472953 0.84 MAPT (0.50) MAPTMEN1KMT2ALMNATP53
SCHEMBL11463655 0.80 MAPT (0.51) MAPTMEN1KMT2ALMNATP53
SCHEMBL11471667 0.79 MRGPRX4 (0.43) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL11461852 0.77 ELANE (0.42) MAPTMEN1KMT2ALMNATP53
SCHEMBL10598949 0.77 LMNA (0.51) MAPTMEN1KMT2ALMNATP53
SCHEMBL10599595 0.77 LMNA (0.51) MAPTMEN1KMT2ALMNATP53
SCHEMBL10955599 0.76 MAPT (0.66) MAPTMEN1KMT2ALMNATP53
SCHEMBL10341808 0.76 MAPT (0.58) MAPTMEN1KMT2ALMNATP53

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
US-4226872-A Pyridyl esters of α-substituted amino acids ZOECON CORPORATION (US) 1980-10-07 US disclosed