SCHEMBL8546705

SCHEMBL8546705

SC(S)=Nc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.58
SLC22A1 O15245 1/20 0.58
SLC22A3 O75751 1/20 0.58
PLAU P00749 1/20 0.58
NOS1 P29475 3/20 0.56
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
GLB1 P16278 1/20 0.46
CTRB1 P17538 1/20 0.46
CTRC Q99895 1/20 0.46
CYP2A6 P11509 1/20 0.42
ALOX15 P16050 1/20 0.39

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
SCHEMBL2447318 0.74 SLC22A2 (1.00) SLC22A2SLC22A1SLC22A3PLAUNOS1
Hydrochloric Acid SCHEMBL1115167 0.72 SLC22A2 (0.95) SLC22A2SLC22A1SLC22A3PLAUNOS1
Hydrochloric Acid SCHEMBL2860585 0.70 NOS1 (1.00) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL8932568 0.68 PLG (0.58) NOS1POLBMEN1MAPTKMT2A
SCHEMBL3094195 0.67 CYP2A6 (0.57) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL11691771 0.67 GLB1 (0.74) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL28682536 0.67 PLAU (0.50) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL11929155 0.67 NOS1 (0.59) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL16707810 0.67 SIGMAR1 (0.66) SLC22A2SLC22A1SLC22A3PLAUNOS1
SCHEMBL30528345 0.67 GRIN2D (0.66) SLC22A2SLC22A1SLC22A3PLAUNOS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825988-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP disclosed
WO-1996036616-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO disclosed