SCHEMBL19976901

SCHEMBL19976901

Cc1ccccc1NC(=O)C(C)NC(=O)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MAPT P10636 4/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PGR P06401 1/20 0.51
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL19976982 0.84 L3MBTL1 (0.52) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL19976948 0.84 KMT2A (0.58) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL19976931 0.84 APLNR (0.72) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL7991476 0.83 MAPT (0.68) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL19977006 0.81 APLNR (0.54) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL19976952 0.81 APLNR (0.57) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL19977040 0.80 MAPT (0.71) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL19976947 0.80 MEN1 (0.53) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL19976994 0.79 PGR (0.57) GAAMEN1KMT2ANPSR1MAPT
SCHEMBL19976922 0.79 HPGD (0.66) GAAMAPTALDH1A1HSD17B10PGR

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