SCHEMBL7782597

SCHEMBL7782597

CCOCn1c(C(F)(F)F)cc(S(=O)(=O)c2ccccc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 1/20 0.42
AURKA O14965 2/20 0.42
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 4/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTR6 P50406 2/20 0.36
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL7786263 0.95 PTGS1 (0.39) NPSR1LMNAAURKAKDM4EGAA
SCHEMBL7784902 0.77 SMN1; SMN2 (0.34) NPSR1LMNAHTTPTGDR2RXFP1
SCHEMBL8532395 0.75 KDM4E (0.38) LMNAKDM4EGAAHTTHPGD
Hydrochloric Acid SCHEMBL28752946 0.74 KDM4E (0.37) LMNAKDM4EGAAHTTHPGD
SCHEMBL8664414 0.73 KDM4E (0.31) KDM4EHTTHPGDALDH1A1PTGS1
SCHEMBL7784780 0.72 PTGS1 (0.37) NPSR1LMNAKDM4EGAAHTT
SCHEMBL7782978 0.72 KDM4E (0.31) KDM4EHPGDALDH1A1PTGS1PTGS2
SCHEMBL7784460 0.70 KDM4E (0.37) NPSR1LMNAAURKAKDM4EGAA
SCHEMBL7778137 0.69 NR1H2 (0.31)
SCHEMBL7782871 0.68 ALDH1A1 (0.38) LMNAKDM4EGAAHPGDALDH1A1

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