SCHEMBL19976948

SCHEMBL19976948

Cc1ccc(Cl)cc1NC(=O)C(C)NC(=O)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.58
MEN1 O00255 8/20 0.58
GAA P10253 5/20 0.58
MAPT P10636 4/20 0.58
LMNA P02545 3/20 0.58
KCNMA1 Q12791 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
RECQL P46063 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ATM Q13315 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 4/20 0.48
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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 0.86 L3MBTL1 (0.52) KMT2AMEN1GAAMAPTL3MBTL1
SCHEMBL1520408 0.85 KCNMA1 (0.72) KMT2AMEN1GAAMAPTLMNA
SCHEMBL19976901 0.84 GAA (0.59) KMT2AMEN1GAAMAPTLMNA
SCHEMBL16994023 0.81 KMT2A (0.50) KMT2AMEN1GAAMAPTLMNA
SCHEMBL19976953 0.81 LMNA (0.56) KMT2AMEN1GAAMAPTLMNA
SCHEMBL19976968 0.80 KCNMA1 (0.57) KMT2AMEN1GAAMAPTLMNA
SCHEMBL19976911 0.79 LMNA (0.54) KMT2AMEN1MAPTLMNAKCNMA1
SCHEMBL19977031 0.77 KCNMA1 (0.54) KMT2AMEN1GAAMAPTLMNA
SCHEMBL5115961 0.74 KMT2A (0.59) KMT2AMEN1MAPTLMNATDP1
SCHEMBL19976931 0.74 APLNR (0.72) KMT2AMEN1GAAMAPTLMNA

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