SCHEMBL8553509

SCHEMBL8553509

O=[N+]([O-])C=CC1=CC=CCC1=S

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.37
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
EGFR P00533 1/20 0.33
HSP90AA1 P07900 3/20 0.33
VCP P55072 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 2/20 0.31
MITF O75030 1/20 0.31
HTT P42858 1/20 0.31
S1PR4 O95977 1/20 0.31
HPGD P15428 1/20 0.31
S1PR1 P21453 1/20 0.31
CCR6 P51684 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TLR9 Q9NR96 1/20 0.31

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
SCHEMBL9081365 0.79
SCHEMBL9633162 0.73 L3MBTL1 (0.30)
SCHEMBL1253974 0.71
SCHEMBL7185798 0.70 HCAR2 (0.34) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL15390555 0.70 HCAR2 (0.34) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL1865882 0.70 GLA (0.36) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL5267527 0.69
SCHEMBL15389876 0.69
SCHEMBL1706017 0.69
SCHEMBL522004 0.68 KDM4E (0.31)

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-0824523-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. Searle & Co. (US) 1998-02-25 EP disclosed
WO-1996035677-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. SEARLE & CO. (US) 1996-11-14 WO disclosed