SCHEMBL19976954

SCHEMBL19976954

COc1cccc(NC(=O)C(C)NC(=O)c2ccccc2F)c1C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 3/20 0.46
PYGL P06737 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AGER Q15109 1/20 0.44
HPGD P15428 2/20 0.44
KAT6A Q92794 1/20 0.44
MAPT P10636 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
SCHEMBL19976990 0.91 KMT2A (0.60) KMT2AMEN1NPC1SMN1; SMN2ALDH1A1
SCHEMBL19977009 0.84 KMT2A (0.53) KMT2AMEN1NPC1SMN1; SMN2ALDH1A1
SCHEMBL19976970 0.83 NPC1 (0.53) KMT2AMEN1NPC1SMN1; SMN2ALDH1A1
SCHEMBL16994038 0.83 PSMB5 (0.51) KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL19976906 0.82 PGR (0.52) KMT2AMEN1NPC1SMN1; SMN2ALDH1A1
SCHEMBL19977035 0.81 KMT2A (0.61) KMT2AMEN1NPC1SMN1; SMN2KDM4E
SCHEMBL19977067 0.80 CRHBP (0.60) KMT2AMEN1NPC1SMN1; SMN2ALDH1A1
SCHEMBL19977032 0.80 MAPT (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL19977133 0.80 HPGD (0.54) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL19976943 0.78 KMT2A (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E

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