SCHEMBL3933947

SCHEMBL3933947

CN(Cc1ccc(F)cc1)C(=O)C(OC(N)=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.66
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.44
EPHX1 P07099 1/20 0.43
TACR1 P25103 1/20 0.43
RIPK1 Q13546 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
KLK7 P49862 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL3940654 0.82 TDP1 (0.59) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4788119 0.82 TDP1 (0.59) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4933726 0.80 TDP1 (0.74) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL3168587 0.80 TDP1 (0.74) TDP1KMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3239786 0.79 TDP1 (0.72) TDP1KMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3239776 0.79 TDP1 (0.72) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL9501912 0.79 HPGD (0.54) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL27652972 0.78 TDP1 (0.59) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL14046234 0.75 TDP1 (0.71) TDP1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4939844 0.74 TDP1 (0.69) TDP1KMT2AMEN1HPGD

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-2009014674-A1 HETEROCYCLYLAMIDES AS GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed