SCHEMBL7946253

SCHEMBL7946253

CCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(-c3ccc(OC(F)(F)F)cc3)c2C)c1O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.36
GRIN2B Q13224 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
PDE2A O00408 4/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
AR P10275 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MAPT P10636 1/20 0.34
DAGLA Q9Y4D2 2/20 0.33
KIF11 P52732 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
CYP2C9 P11712 1/20 0.33
DAGLB Q8NCG7 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 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
SCHEMBL7939693 0.89 PTGS2 (0.34) PTGER4MAPT
SCHEMBL7939695 0.89 MAPK1 (0.37) MAPT
SCHEMBL7939787 0.88 PTGS2 (0.38)
SCHEMBL7947421 0.88 SMN1; SMN2 (0.33) MAPT
SCHEMBL7947420 0.87 PTGS2 (0.35)
SCHEMBL7951321 0.86 PTGS2 (0.37)
SCHEMBL7939640 0.85 SMN1; SMN2 (0.39) MAPT
SCHEMBL7951276 0.85 LMNA (0.38)
SCHEMBL7951460 0.84 KAT6A (0.33) MAPT
SCHEMBL7939860 0.82 SMN1; SMN2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US disclosed