SCHEMBL7786212

SCHEMBL7786212

O=[N+]([O-])c1cc(Sc2ccc(Cl)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.45
PDE7B Q9NP56 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP7 Q93009 1/20 0.43
PADI4 Q9UM07 1/20 0.43
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
PLA2G4A P47712 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
BCL2L1 Q07817 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
IDO1 P14902 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL7778214 0.91 TDP1 (0.44) PDE7APDE7BMEN1KMT2AUSP7
SCHEMBL8665042 0.81 TSHR (0.37) PDE7APDE7BMEN1KMT2ATDP1
SCHEMBL7784803 0.77 VCAM1 (0.43) PDE7AMEN1KMT2ATDP1L3MBTL1
SCHEMBL7786001 0.71 KIF18A (0.46) MEN1KMT2ATSHRMAPK1POLB
SCHEMBL7782881 0.71 MAOA (0.51) MEN1KMT2ATDP1L3MBTL1SMN1; SMN2
SCHEMBL7786339 0.70 MAPK1 (0.38) PDE7APDE7BMEN1KMT2AUSP7
SCHEMBL23507204 0.69 PDE7A (0.58) PDE7APDE7BMEN1KMT2AUSP7
SCHEMBL4963975 0.69 PDE7A (0.82) PDE7APDE7BMEN1KMT2APDE4B
SCHEMBL8666107 0.69 EPAS1 (0.40) MEN1KMT2ATDP1L3MBTL1TSHR
SCHEMBL7782705 0.68 MAPK1 (0.44) MEN1KMT2ATDP1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0801058-B1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID CO (US) 2001-10-10 EP disclosed
US-5817691-A Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID COMPANY (US) 1998-10-06 US disclosed
EP-0801058-A1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents American Cyanamid Company (US) 1997-10-15 EP disclosed