SCHEMBL9028443

SCHEMBL9028443

C=CCN(CC=C)C(=O)OC(c1cnccc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
CNR2 P34972 1/20 0.33
SCN9A Q15858 1/20 0.32
MAPT P10636 1/20 0.32
TYK2 P29597 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
NOTUM Q6P988 1/20 0.31
CTSA P10619 1/20 0.31
GPBAR1 Q8TDU6 5/20 0.31
CRHR1 P34998 1/20 0.31
P2RX7 Q99572 1/20 0.31
CHRM5 P08912 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
SCHEMBL9030025 0.83 GPBAR1 (0.38) SCN9AMAPTTYK2GPBAR1
SCHEMBL9028966 0.82 HPGD (0.36) RAB9ACNR2SCN9ATYK2ADAMTS5
SCHEMBL8549639 0.82 GPBAR1 (0.37) CNR2SCN9AMAPTGPBAR1P2RX7
SCHEMBL8550618 0.80 LIPE (0.43) GPBAR1
SCHEMBL27437030 0.80 LIPE (0.33) SCN9ATYK2ADAMTS5CTSAGPBAR1
SCHEMBL9028689 0.78 SCN9A (0.37) CNR2SCN9ATYK2ADAMTS5GPBAR1
SCHEMBL9028582 0.77 SCN9A (0.40) CNR2SCN9ATYK2ADAMTS5NOTUM
SCHEMBL9028568 0.77 SCN9A (0.37) CNR2SCN9ATYK2ADAMTS5NOTUM
SCHEMBL9028593 0.76 CNR1 (0.40) CNR2SCN9ATYK2ADAMTS5CTSA
SCHEMBL9028891 0.75 LIMK1 (0.37) CNR2SCN9ATYK2ADAMTS5NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695292-A1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LIMITED (GB) 1996-02-07 EP disclosed