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Sugi Predict / Compounds / SCHEMBL3466892

SCHEMBL3466892

SCHEMBL3466892

CC(C)(C)OC(=O)CC1Cc2cc(-c3ccc(C(F)(F)F)c(F)c3)ccc2NC1=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 10/20 0.42
▸ CYP11B2 P19099 10/20 0.42
▸ KIF11 P52732 6/20 0.40
▸ MIF P14174 1/20 0.39
▸ FFAR1 O14842 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35

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
SCHEMBL3467771 0.87 KIF11 (0.48) CYP11B1CYP11B2KIF11MIFFFAR1
SCHEMBL3466924 0.87 KIF11 (0.41) CYP11B1CYP11B2KIF11FFAR1
SCHEMBL3467779 0.82 PYGL (0.37) MIFCRBN
SCHEMBL3466516 0.78 BRD4 (0.39) CRBN
SCHEMBL4596404 0.78 KIF11 (0.44) CYP11B1CYP11B2KIF11
SCHEMBL3467479 0.74 ALDH1A1 (0.38) KIF11
SCHEMBL3308412 0.73 KIF11 (0.53) KIF11
SCHEMBL3467229 0.72 FFAR1 (0.38) FFAR1
SCHEMBL3467592 0.72 KIF11 (0.52) KIF11
SCHEMBL3466993 0.71 OTUD7B (0.38) KIF11

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
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 — — WO claimed
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 — — WO disclosed