SCHEMBL19976982

SCHEMBL19976982

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
RAB9A P51151 3/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.44
GPR174 Q9BXC1 1/20 0.44

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
SCHEMBL19976948 0.86 KMT2A (0.58) L3MBTL1KMT2AMEN1RAB9ANPC1
SCHEMBL19977059 0.85 KMT2A (0.58) L3MBTL1KMT2AMEN1RAB9ANPC1
SCHEMBL19976901 0.84 GAA (0.59) L3MBTL1KMT2AMEN1RAB9ANPC1
SCHEMBL16993941 0.83 CTSL (0.58) L3MBTL1KMT2AMEN1HTTNPSR1
SCHEMBL16993972 0.81 HSPA5 (0.48) L3MBTL1KMT2AMEN1RAB9ANPC1
SCHEMBL19976950 0.81 ALDH1A1 (0.51) KMT2AMEN1RAB9ANPC1HTT
SCHEMBL19977007 0.80 KMT2A (0.58) L3MBTL1KMT2AMEN1RAB9ANPC1
SCHEMBL19976936 0.80 SRPK1 (0.48) KMT2AMEN1RAB9ANPC1NPSR1
SCHEMBL19976919 0.80 LMNA (0.47) KMT2AMEN1RAB9AHTTNPSR1
SCHEMBL19976943 0.79 KMT2A (0.48) KMT2AMEN1RAB9AHTTGAA

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