SCHEMBL28777719

SCHEMBL28777719

FC(F)(F)c1cc2cc[nH]c2cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.54
▸ KIF11 P52732 1/20 0.49
▸ AHR P35869 6/20 0.47
▸ CYP2A6 P11509 3/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ WNT3A P56704 1/20 0.42
▸ NR4A2 P43354 2/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ F7 P08709 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ TYR P14679 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RAD51 Q06609 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ESR1 P03372 1/20 0.40
▸ IMPDH2 P12268 1/20 0.38

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
SCHEMBL8957501 0.91 GPR84 (0.46) GPR84KIF11AHRCYP2A6CSNK2A1
SCHEMBL17703916 0.86 GPR84 (0.64) GPR84KIF11AHRCYP2A6CSNK2A1
SCHEMBL5236426 0.86 GPR84 (0.64) GPR84KIF11AHRCYP2A6CSNK2A1
SCHEMBL14389920 0.85 GPR84 (0.41) GPR84KIF11AHRCYP2A6CSNK2A1
SCHEMBL12288155 0.84 GPR84 (0.47) GPR84KIF11AHRCYP2A6CSNK2A1
SCHEMBL3334627 0.84 GPR84 (0.47) GPR84KIF11AHRCYP2A6CSNK2A1
SCHEMBL2272066 0.84 CSNK2A1 (0.55) GPR84KIF11AHRCYP2A6CSNK2A1
SCHEMBL22438351 0.84 CSNK2A1 (0.50) GPR84KIF11AHRCSNK2A1CTNNB1
SCHEMBL850198 0.84 CSNK2A1 (0.55) GPR84KIF11AHRCYP2A6CSNK2A1
SCHEMBL5495155 0.84 GPR84 (0.47) GPR84KIF11AHRCYP2A6CSNK2A1

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
CN-114680114-B Application of melatonin derivative in preventing and treating plant fungal diseases 华中农业大学 2022-11-15 — — CN disclosed
CN-114680114-A Application of melatonin derivative in preventing and treating plant fungal diseases 华中农业大学 2022-07-01 — — CN disclosed
Send feedback