SCHEMBL19976952

SCHEMBL19976952

COc1cccc(NC(=O)C(C)NC(=O)c2cccs2)c1C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.57
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 3/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 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
SCHEMBL19976931 0.90 APLNR (0.72) APLNRKMT2AMEN1RAB9AMAPT
SCHEMBL16993964 0.83 USP30 (0.58) APLNRKMT2AMEN1RAB9AMAPT
SCHEMBL19977059 0.82 KMT2A (0.58) APLNRKMT2AMEN1RAB9AMAPT
SCHEMBL19976970 0.81 NPC1 (0.53) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL19976901 0.81 GAA (0.59) APLNRKMT2AMEN1RAB9AMAPT
SCHEMBL19977006 0.80 APLNR (0.54) APLNRKMT2AMEN1RAB9AMAPT
SCHEMBL16999845 0.78 APLNR (0.45) APLNRKMT2AMEN1RAB9AMAPT
SCHEMBL19976954 0.77 KMT2A (0.53) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL19976982 0.76 L3MBTL1 (0.52) KMT2AMEN1RAB9AMAPTSMN1; SMN2
SCHEMBL19976903 0.74 MEN1 (0.50) APLNRKMT2AMEN1RAB9AMAPT

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