SCHEMBL3433509

SCHEMBL3433509

CC1(C)Nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2NC1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OTUD7B Q6GQQ9 2/20 0.48
▸ PGR P06401 2/20 0.47
▸ ABL1 P00519 9/20 0.44
▸ SCN9A Q15858 2/20 0.42
▸ XDH P47989 1/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.42
▸ CES1 P23141 1/20 0.40

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
SCHEMBL3434306 0.88 ABL1 (0.44) ABL1SCN9AADAMTS5CES1
SCHEMBL3377336 0.81 AR (0.45) PGRXDH
SCHEMBL14499205 0.71 PGR (0.42) PGR
SCHEMBL3468129 0.71 KIF11 (0.69) OTUD7BPGRABL1
SCHEMBL3016588 0.71 PGR (0.51) OTUD7BPGRADAMTS5
SCHEMBL3466905 0.69 OTUD7B (0.52) OTUD7BABL1SCN9AXDHCES1
SCHEMBL1044062 0.69 CYP1A2 (0.51) XDH
SCHEMBL5840598 0.68 SLC13A5 (0.51) XDH
SCHEMBL2380991 0.68 XDH (0.49) XDH
SCHEMBL30996181 0.68 ABL1 (0.61) PGRABL1

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-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 — — WO disclosed
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