SCHEMBL7939860

SCHEMBL7939860

CCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(-c3cc(C)cc(C)c3)c2C)c1O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
NR3C1 P04150 1/20 0.31
NPC1 O15118 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL7947420 0.93 PTGS2 (0.35) SMN1; SMN2RAB9ALMNAALDH1A1GAA
SCHEMBL7946692 0.91 SMN1; SMN2 (0.37) SMN1; SMN2RAB9ALMNAALDH1A1GAA
SCHEMBL7948299 0.91 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ALMNAALDH1A1GAA
SCHEMBL7951276 0.88 LMNA (0.38) SMN1; SMN2RAB9ALMNAALDH1A1GAA
SCHEMBL7951321 0.88 PTGS2 (0.37) SMN1; SMN2ALDH1A1GAAHTT
SCHEMBL7939640 0.87 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ALMNAALDH1A1GAA
SCHEMBL7947421 0.87 SMN1; SMN2 (0.33) SMN1; SMN2RAB9ALMNAALDH1A1GAA
SCHEMBL7939787 0.87 PTGS2 (0.38) SMN1; SMN2RAB9AALDH1A1CYP1A2NPC1
SCHEMBL7939695 0.86 MAPK1 (0.37) SMN1; SMN2RAB9AALDH1A1GAAHTT
SCHEMBL7946282 0.84 MAPT (0.36) RAB9ALMNAALDH1A1HTTKMT2A

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