SCHEMBL7949422

SCHEMBL7949422

CC(C)(C)n1ncc(C(=O)c2ccc(S(C)(=O)=O)c(-c3ccccc3)c2Cl)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS2 P35354 4/20 0.32
PTGS1 P23219 2/20 0.32
PKM P14618 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7939774 0.92 PTGS2 (0.36) LMNANPSR1PTGS2PTGS1ALDH1A1
SCHEMBL7951450 0.88 GAA (0.34) ITGB1ITGA4ITGB7PTGS2PTGS1
SCHEMBL7949489 0.84 SMN1; SMN2 (0.37) L3MBTL1LMNANPSR1PTGS2PTGS1
SCHEMBL7142215 0.80
SCHEMBL7948205 0.80 MELK (0.33)
SCHEMBL7949475 0.79 MELK (0.34) PTGS2PTGS1ALDH1A1
SCHEMBL5000921 0.77 MAPK1 (0.35) LMNANPSR1PTGS2PTGS1PKM
SCHEMBL7949349 0.76 SMN1; SMN2 (0.37) LMNAPTGS2PTGS1ALDH1A1SMN1; SMN2
SCHEMBL7947385 0.75 PTGS2 (0.36) PTGS2PKMALDH1A1SMN1; SMN2RAB9A
SCHEMBL7948308 0.75 PTGS2 (0.32) LMNAPTGS2ALDH1A1

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