SCHEMBL3466969

SCHEMBL3466969

O=C(O)CCC1Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.43
MME P08473 1/20 0.41
RORC P51449 9/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
ASIC3 Q9UHC3 1/20 0.40
SLC13A5 Q86YT5 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
KIF11 P52732 1/20 0.39
CTSK P43235 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL3466406 0.91 RORC (0.45) S1PR5RORCPARP10PARP11ASIC3
SCHEMBL3468263 0.81 KIF11 (0.53) RXRARXRBRXRGKIF11
SCHEMBL3467480 0.74 EGFR (0.44)
SCHEMBL3467357 0.74 AKR1C3 (0.45) KIF11BACE1
SCHEMBL3308412 0.72 KIF11 (0.53) RORCRXRARXRBRXRGKIF11
SCHEMBL3313408 0.71 KIF11 (0.62) PARP10PARP11ASIC3KIF11
SCHEMBL3713898 0.71 KMT2A (0.43) KIF11
SCHEMBL8337601 0.68 SLC13A5 (0.67) S1PR5MMESLC13A5RXRARXRB
SCHEMBL3467451 0.68 OTUD7B (0.41) PARP10PARP11
SCHEMBL4891219 0.68 KIF11 (0.56) 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 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 disclosed