SCHEMBL7778178

SCHEMBL7778178

O=S(=O)(c1ccc(F)c(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c(C(F)(F)F)c1Br

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
PTGS2 P35354 10/20 0.36
PTGS1 P23219 6/20 0.36
HTR6 P50406 5/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
PSD A5PKW4 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 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
SCHEMBL7782862 0.89 ALDH1A1 (0.40) PTGS2PTGS1KCNQ3KCNQ2PSD
SCHEMBL7783642 0.83 ALDH1A1 (0.39) PTGS2KCNQ3KCNQ2PSD
SCHEMBL7784695 0.73 ALDH1A1 (0.41) PTGS2KCNQ3KCNQ2PSD
SCHEMBL7786266 0.72 TYMS (0.36) PSD
SCHEMBL7784933 0.72 GRM5 (0.39) GRM5PTGS2PTGS1
SCHEMBL7782898 0.71 PSD (0.41) PTGS2KCNQ3KCNQ2PSD
SCHEMBL8798414 0.69 PSD (0.34) KCNQ3KCNQ2PSD
SCHEMBL7784898 0.68 MEN1 (0.41) GRM5PTGS2PTGS1FLT1FLT4
SCHEMBL7782970 0.66 ALDH1A1 (0.43) PTGS2HTR6
SCHEMBL8798325 0.66 PSD (0.34) KCNQ3KCNQ2PSD

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 5 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 claimed
EP-0801058-A1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents American Cyanamid Company (US) 1997-10-15 EP claimed
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