SCHEMBL19977006

SCHEMBL19977006

CC(NC(=O)c1cccs1)C(=O)Nc1ccccc1OC(F)F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 2/20 0.45
ALOX12 P18054 1/20 0.45
TSHR P16473 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 1/20 0.42

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 0.87 APLNR (0.72) APLNRKMT2AMEN1ATMSMN1; SMN2
SCHEMBL16993910 0.83 HSPA5 (0.59) APLNRKMT2AMEN1ATMSMN1; SMN2
SCHEMBL19976893 0.82 SMN1; SMN2 (0.60) KMT2AMEN1SMN1; SMN2HTTRAB9A
SCHEMBL19976901 0.81 GAA (0.59) APLNRKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL19976952 0.80 APLNR (0.57) APLNRKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL19977035 0.79 KMT2A (0.61) KMT2AMEN1SMN1; SMN2HTTRAB9A
SCHEMBL19976916 0.79 KMT2A (0.51) KMT2AMEN1SMN1; SMN2HTTRAB9A
SCHEMBL19977046 0.78 KMT2A (0.50) KMT2AMEN1SMN1; SMN2HTTRAB9A
SCHEMBL19977059 0.78 KMT2A (0.58) APLNRKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL19976982 0.76 L3MBTL1 (0.52) KMT2AMEN1SMN1; SMN2HTTRAB9A

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