SCHEMBL19976959

SCHEMBL19976959

Cc1ccccc1C(=O)NC(C)C(=O)Nc1ccccc1N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 9/20 0.57
TDP1 Q9NUW8 2/20 0.57
PKM P14618 1/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
KCNQ2 O43526 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 3/20 0.54
TSHR P16473 3/20 0.54
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK1 P28482 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL19976960 0.88 LMNA (0.58) LMNAL3MBTL1ATMALDH1A1TDP1
SCHEMBL19977098 0.88 KDM4E (0.51) LMNAALDH1A1TDP1PKMKMT2A
SCHEMBL19976964 0.87 L3MBTL1 (0.58) LMNAL3MBTL1ATMALDH1A1TDP1
SCHEMBL19977055 0.85 POLB (0.61) LMNAL3MBTL1ALDH1A1TDP1PKM
SCHEMBL16994062 0.84 KCNQ2 (0.54) LMNAL3MBTL1ATMALDH1A1TDP1
SCHEMBL16999531 0.82 LMNA (0.52) LMNAL3MBTL1ATMALDH1A1TDP1
SCHEMBL16993946 0.82 LMNA (0.52) LMNAL3MBTL1ATMALDH1A1TDP1
SCHEMBL19976917 0.81 ALDH1A1 (0.66) LMNAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL18711850 0.80 ALDH1A1 (0.70) LMNAL3MBTL1ATMALDH1A1TDP1
SCHEMBL19976994 0.80 PGR (0.57) LMNAL3MBTL1ALDH1A1KMT2AMEN1

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-9919998-B2 Antibacterial agents: Nα-aroyl-N-aryl-phenylalaninamides RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-20 US disclosed