SCHEMBL19976960

SCHEMBL19976960

CC(NC(=O)c1ccccc1F)C(=O)Nc1ccccc1N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
ALDH1A1 P00352 10/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HTT P42858 2/20 0.57
TSHR P16473 2/20 0.57
USP2 O75604 1/20 0.57
GLA P06280 1/20 0.57
ATM Q13315 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KCNQ2 O43526 1/20 0.53
PKM P14618 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 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
SCHEMBL19977056 0.90 KDM4E (0.59) LMNAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL19976959 0.88 LMNA (0.59) LMNAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL19977129 0.87 ALDH1A1 (0.57) LMNAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL19977105 0.85 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL19977055 0.84 POLB (0.61) LMNAALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL16993888 0.83 ALDH1A1 (0.55) LMNAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL16999343 0.81 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL16993882 0.81 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL19977098 0.81 KDM4E (0.51) LMNAALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL19976917 0.80 ALDH1A1 (0.66) LMNAALDH1A1MAPTL3MBTL1HTT

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