SCHEMBL19977070

SCHEMBL19977070

CCc1cccc(NC(=O)C(C)NC(=O)c2ccccc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
POLB P06746 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PGR P06401 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
GFER P55789 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
SCHEMBL19976957 0.91 PGR (0.44) KCNK3KCNK9POLBALDH1A1SMN1; SMN2
SCHEMBL19977069 0.89 ALDH1A1 (0.57) KCNK3KCNK9POLBALDH1A1SMN1; SMN2
SCHEMBL19976955 0.85 POLB (0.53) POLBALDH1A1SMN1; SMN2PGRSCN1A
SCHEMBL19977138 0.83 HPGD (0.48) KCNK3KCNK9POLBALDH1A1SMN1; SMN2
SCHEMBL19977018 0.83 SMN1; SMN2 (0.50) POLBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL19977072 0.83 LMNA (0.54) KCNK3KCNK9POLBSMN1; SMN2HPGD
SCHEMBL16999515 0.83 USP30 (0.57) L3MBTL1
SCHEMBL19976970 0.81 NPC1 (0.53) KCNK3KCNK9ALDH1A1SMN1; SMN2HPGD
SCHEMBL19977071 0.81 LMNA (0.45) POLBALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL19976922 0.81 HPGD (0.66) POLBALDH1A1SMN1; SMN2PGRSCN1A

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