SCHEMBL7784739

SCHEMBL7784739

O=S(=O)(c1ccc(Cl)cc1)c1cc(C(F)(F)F)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.41
HSD11B1 P28845 2/20 0.40
CNR2 P34972 1/20 0.39
PTGS2 P35354 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTGS1 P23219 2/20 0.38
PPARG P37231 1/20 0.37
PDPK1 O15530 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
SCHEMBL7778323 0.93 LMNA (0.42) ALDH1A1HSD11B1PTGS2MEN1KMT2A
SCHEMBL8663128 0.84 KDM4E (0.35) ALDH1A1CNR2PTGS2MEN1KMT2A
SCHEMBL9015117 0.73 GCGR (0.50) ALDH1A1PTGS2MEN1KMT2A
SCHEMBL8798565 0.73 KDM4E (0.43) ALDH1A1POLBPTGS2MEN1KMT2A
SCHEMBL29172448 0.71 GCGR (0.38) ALDH1A1PTGS2MEN1KMT2APTGS1
SCHEMBL8666601 0.70 PTGS2 (0.40) ALDH1A1PTGS2MEN1KMT2APTGS1
SCHEMBL8415325 0.70 MAPK14 (0.56) ALDH1A1MEN1KMT2A
SCHEMBL8663058 0.69 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL8662865 0.69 MAPT (0.35) ALDH1A1PTGS2MEN1KMT2APTGS1
SCHEMBL8779966 0.69 PTGS2 (0.35) ALDH1A1PTGS2MEN1KMT2APTGS1

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