SCHEMBL11258538

SCHEMBL11258538

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 19/20 0.50
JAK2 O60674 1/20 0.50
PIM1 P11309 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44

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 0.89 MAPK14 (0.38) PTGESJAK2PIM1CSNK2A2CSNK2B
SCHEMBL11247663 0.85 PTGES (0.40) PTGESJAK2PIM1CSNK2A2CSNK2B
SCHEMBL11247552 0.84 TRPA1 (0.43) PTGESJAK2
SCHEMBL13076580 0.81 PTGES (0.51) PTGESJAK2PIM1CSNK2A2CSNK2B
SCHEMBL11251809 0.81 PTGES (0.34) PTGESJAK2PIM1CSNK2A2CSNK2B
SCHEMBL11257687 0.80 TRPA1 (0.35) PTGESJAK2
SCHEMBL11249150 0.80 PTGES (0.33) PTGESJAK2
SCHEMBL11261743 0.79 PTGES (0.36) PTGESJAK2PIM1CSNK2A2CSNK2B
SCHEMBL11252326 0.79 PTGES (0.34) PTGESJAK2PIM1CSNK2A2CSNK2B
SCHEMBL11253397 0.79 POLB (0.37) PTGES

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