SCHEMBL3377336

SCHEMBL3377336

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
NOTUM Q6P988 1/20 0.43
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
PGR P06401 3/20 0.42
IKBKB O14920 1/20 0.42
MOGAT2 Q3SYC2 1/20 0.41
KIF11 P52732 2/20 0.40
AKR1C3 P42330 1/20 0.40
MAPK14 Q16539 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL4898502 0.82 KIF11 (0.50) ARNOTUMMOGAT2KIF11
SCHEMBL3433509 0.81 OTUD7B (0.48) PGRXDH
SCHEMBL3434306 0.76 ABL1 (0.44) NOTUMKIF11
SCHEMBL8015401 0.75 IKBKB (0.41) ARNOTUMPARP10PARP11PGR
SCHEMBL14499205 0.71 PGR (0.42) ARPGR
SCHEMBL3020986 0.70 PGR (0.55) PGR
SCHEMBL3020600 0.70 PGR (0.65) NOTUMPARP10PARP11PGRKIF11
SCHEMBL4170374 0.70 PGR (0.71) ARPGRMAPT
SCHEMBL29678302 0.70 TSHR (0.58) NOTUMPGRKIF11ASIC3MAOB
SCHEMBL1263144 0.70 TSHR (0.58) NOTUMPGRKIF11ASIC3MAOB

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