SCHEMBL7939640

SCHEMBL7939640

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
PTGS2 P35354 2/20 0.34
CCR1 P32246 2/20 0.33
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HTT P42858 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
NCOA1 Q15788 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
NR3C1 P04150 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 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
SCHEMBL7948299 0.92 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AALDH1A1HTTMAPT
SCHEMBL7947420 0.92 PTGS2 (0.35) SMN1; SMN2RAB9APTGS2PTGS1ALDH1A1
SCHEMBL7951321 0.91 PTGS2 (0.37) SMN1; SMN2PTGS2PTGS1ALDH1A1HTT
SCHEMBL7949349 0.91 SMN1; SMN2 (0.37) SMN1; SMN2RAB9APTGS2CCR1PTGS1
SCHEMBL7939787 0.90 PTGS2 (0.38) SMN1; SMN2RAB9APTGS2PTGS1ALDH1A1
SCHEMBL7947421 0.90 SMN1; SMN2 (0.33) SMN1; SMN2RAB9APTGS2PTGS1ALDH1A1
SCHEMBL7951276 0.90 LMNA (0.38) SMN1; SMN2RAB9APTGS2PTGS1ALDH1A1
SCHEMBL7939695 0.89 MAPK1 (0.37) SMN1; SMN2RAB9APTGS2PTGS1ALDH1A1
SCHEMBL7939693 0.87 PTGS2 (0.34) SMN1; SMN2RAB9APTGS2MAPT
SCHEMBL7939860 0.87 SMN1; SMN2 (0.35) SMN1; SMN2RAB9AALDH1A1HTTPOLB

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