SCHEMBL7939693

SCHEMBL7939693

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.34
APOB P04114 4/20 0.33
MTTP P55157 4/20 0.33
PTGER4 P35408 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPT P10636 2/20 0.32
ABCB11 O95342 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
TRPM2 O94759 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7939787 0.89 PTGS2 (0.38) PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL7947420 0.89 PTGS2 (0.35) PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL7946253 0.89 PTGER4 (0.36) PTGER4MAPT
SCHEMBL7951321 0.88 PTGS2 (0.37) PTGS2SMN1; SMN2
SCHEMBL7939640 0.87 SMN1; SMN2 (0.39) PTGS2MAPTRAB9ASMN1; SMN2
SCHEMBL7947421 0.87 SMN1; SMN2 (0.33) PTGS2MAPTMEN1KMT2ANPC1
SCHEMBL7951276 0.87 LMNA (0.38) PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL7939695 0.86 MAPK1 (0.37) PTGS2MAPTMEN1KMT2ANPC1
SCHEMBL7939860 0.84 SMN1; SMN2 (0.35) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7948299 0.83 SMN1; SMN2 (0.41) MAPTMEN1KMT2ARAB9ASMN1; SMN2

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