SCHEMBL30366911

SCHEMBL30366911

Fc1c(I)c(-c2ccc(OC(F)(F)F)cc2)c(F)c(I)c1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ GPR3 P46089 3/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ SCN5A Q14524 6/20 0.37
▸ AURKA O14965 1/20 0.37
▸ TPX2 Q9ULW0 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ GALR1 P47211 1/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ AOC3 Q16853 1/20 0.36

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
SCHEMBL30046979 0.77 AKR1C2 (0.44) KIF11NISCHNOTUMMAPTEPHX2
SCHEMBL28716842 0.76 MAOB (0.41) KIF11NISCHNOTUMMAPTEPHX2
SCHEMBL30046652 0.74 KIF11 (0.41) KIF11NISCHSCN5ASCN1ASCN2A
SCHEMBL23041015 0.74 KIF11 (0.41) KIF11NISCHNOTUMSCN5AAURKA
SCHEMBL254957 0.73 MAPT (0.56) KIF11NISCHGPR3NOTUMMAPT
SCHEMBL7938385 0.73 KIF11 (0.50) KIF11NISCHGPR3NOTUMMAPT
SCHEMBL30367023 0.72 GPR3 (0.46) KIF11NISCHGPR3NOTUMMAPT
SCHEMBL80634 0.72 TRPV1 (0.58) KIF11NISCHGPR3MAPTEPHX2
SCHEMBL16475036 0.72 NOTUM (0.44) KIF11NISCHGPR3NOTUMEPHX2
SCHEMBL22621280 0.72 GRIN2B (0.38) KIF11NISCHGPR3NOTUMSCN5A

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
CN-110383518-B Organic light-emitting element 株式会社LG化学 2023-05-09 — — CN disclosed
Send feedback