SCHEMBL11249150

SCHEMBL11249150

Fc1cccc(C(F)F)c1-c1nc(Br)c(C(F)(F)F)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.33
JAK2 O60674 1/20 0.32
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
MAPK14 Q16539 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL11244777 0.87 MAPK14 (0.38) PTGESJAK2CSNK1DCSNK1EMAPK14
SCHEMBL11247663 0.82 PTGES (0.40) PTGESJAK2CSNK1DCSNK1EMAPK14
SCHEMBL11247552 0.81 TRPA1 (0.43) PTGESJAK2CSNK1DCSNK1EMAPK14
SCHEMBL11258538 0.80 PTGES (0.50) PTGESJAK2
SCHEMBL11257687 0.78 TRPA1 (0.35) PTGESJAK2CSNK1DCSNK1EMAPK14
SCHEMBL11253397 0.77 POLB (0.37) PTGESCSNK1DCSNK1EMAPK14TRPA1
SCHEMBL11247197 0.75
SCHEMBL11252253 0.75 NR1H2 (0.34) PTGESMAPK14
SCHEMBL11260762 0.75 DHODH (0.38) PTGES
SCHEMBL11247374 0.72

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
US-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed