SCHEMBL19977059

SCHEMBL19977059

COc1ccc(F)cc1NC(=O)C(C)NC(=O)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.58
MEN1 O00255 7/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
APLNR P35414 1/20 0.55
POLB P06746 1/20 0.54
ALDH1A1 P00352 6/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 1/20 0.51
KCNH2 Q12809 1/20 0.51
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 4/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL19976931 0.88 APLNR (0.72) KMT2AMEN1L3MBTL1APLNRPOLB
SCHEMBL19976982 0.85 L3MBTL1 (0.52) KMT2AMEN1L3MBTL1POLBALDH1A1
SCHEMBL16993869 0.82 KMT2A (0.51) KMT2AMEN1L3MBTL1APLNRPOLB
SCHEMBL19976952 0.82 APLNR (0.57) KMT2AMEN1L3MBTL1APLNRPOLB
SCHEMBL19976942 0.82 MEN1 (0.52) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL19977009 0.80 KMT2A (0.53) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL19976930 0.79 ALDH1A1 (0.55) KMT2AMEN1L3MBTL1POLBALDH1A1
SCHEMBL19977006 0.78 APLNR (0.54) KMT2AMEN1APLNRALDH1A1MAPT
SCHEMBL19977007 0.77 KMT2A (0.58) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL19976936 0.77 SRPK1 (0.48) KMT2AMEN1ALDH1A1MAPTKDM4E

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