SCHEMBL9588019

SCHEMBL9588019

CCc1c(Br)c(C(F)F)nc(C(F)(F)F)c1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GCGR P47871 1/20 0.31
CNR2 P34972 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
SCHEMBL27693060 0.85 DHODH (0.31)
SCHEMBL9588052 0.85 LMNA (0.33) GCGRCNR2
SCHEMBL9589426 0.84 CNR2 (0.31) GCGRCNR2
SCHEMBL9591291 0.82 CNR2 (0.32) GCGRCNR2
SCHEMBL9726385 0.80 NPSR1 (0.36) NOTUMKDM4EALDH1A1HPGDTSHR
SCHEMBL9726392 0.79 GCGR (0.32) GCGR
SCHEMBL9726396 0.78 GCGR (0.32) GCGR
SCHEMBL8693608 0.78 GCGR (0.34) GCGR
SCHEMBL6732316 0.78 GCGR (0.32) GCGR
SCHEMBL27674651 0.77

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196045-A Substituted pyridine herbicides MONSANTO COMPANY (US) 1993-03-23 US disclosed
US-5019153-A Substituted pyridine herbicides MONSANTO COMPANY (US) 1991-05-28 US disclosed
EP-0252055-A1 Substituted pyridine herbicides Monsanto Company (US) 1988-01-07 EP disclosed