SCHEMBL7786339

SCHEMBL7786339

O=[N+]([O-])c1cc([S+]([O-])c2ccc(Cl)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
NPBWR1 P48145 1/20 0.36
POLB P06746 3/20 0.35
MCL1 Q07820 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
PKM P14618 1/20 0.35
PLCG2 P16885 1/20 0.34
VCAM1 P19320 1/20 0.34
KIF18A Q8NI77 1/20 0.33

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
SCHEMBL7786001 0.70 KIF18A (0.46) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL7786212 0.70 PDE7A (0.45) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL23507272 0.70 TSHR (0.49) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL8665042 0.69 TSHR (0.37) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL10451346 0.68 TDP1 (0.50) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL10740644 0.68 TSHR (0.39) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL8666107 0.68 EPAS1 (0.40) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL7782705 0.67 MAPK1 (0.44) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL7778214 0.66 TDP1 (0.44) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL197577 0.65 CYP1A2 (0.48) MAPK1MEN1KMT2ARAB9AALDH1A1

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
EP-0801058-B1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID CO (US) 2001-10-10 EP disclosed