SCHEMBL7939774

SCHEMBL7939774

CC(C)(C)n1ncc(C(=O)c2ccc(S(C)(=O)=O)c(-c3ccc(Cl)cc3)c2Cl)c1O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.36
ALDH1A1 P00352 4/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CCR1 P32246 1/20 0.31
PSD A5PKW4 1/20 0.30
KDM4E B2RXH2 3/20 0.30
HTT P42858 2/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7949422 0.92 L3MBTL1 (0.33) PTGS2PTGS1ALDH1A1TSHRRAB9A
SCHEMBL7951450 0.90 GAA (0.34) PTGS2PTGS1ALDH1A1KMT2ARAB9A
SCHEMBL7949349 0.84 SMN1; SMN2 (0.37) PTGS2PTGS1ALDH1A1TSHRKMT2A
SCHEMBL7948205 0.82 MELK (0.33)
SCHEMBL7949475 0.81 MELK (0.34) PTGS2PTGS1ALDH1A1KDM4EHTT
SCHEMBL7142215 0.80
SCHEMBL5000921 0.79 MAPK1 (0.35) PTGS2PTGS1ALDH1A1KMT2ARAB9A
SCHEMBL7947385 0.77 PTGS2 (0.36) PTGS2ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL7948308 0.77 PTGS2 (0.32) PTGS2ALDH1A1LMNA
SCHEMBL7949489 0.76 SMN1; SMN2 (0.37) PTGS2PTGS1ALDH1A1RAB9ANPC1

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 4 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
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed