SCHEMBL3466734

SCHEMBL3466734

CC1(C)[C]C(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.48
▸ TDP2 O95551 2/20 0.44
▸ PGR P06401 10/20 0.40
▸ NOTUM Q6P988 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ AR P10275 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
SCHEMBL3310077 0.76 KIF11 (0.59) KIF11TDP2PGR
SCHEMBL3467162 0.71 KIF11 (0.65) KIF11TDP2PGRNOTUM
SCHEMBL5428163 0.70 KIF11 (0.48) KIF11TDP2PGRAR
SCHEMBL4898502 0.69 KIF11 (0.50) KIF11TDP2NOTUMAR
SCHEMBL1396636 0.68 HSPA9 (0.62) KIF11TDP2PGRAR
SCHEMBL4426124 0.67 PGR (0.62) KIF11TDP2PGR
SCHEMBL5959182 0.67 EPHX2 (0.51) KIF11TDP2PGR
SCHEMBL1903306 0.66 KIF11 (0.80) KIF11TDP2PGR
SCHEMBL4173395 0.66 PGR (0.63) PGRNR3C1NR3C2AR
SCHEMBL31238638 0.65 PGR (0.54) PGR

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