SCHEMBL3467451

SCHEMBL3467451

O=C(O)CC1Cc2cc(-c3cccc(F)c3)ccc2NC1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP11 Q9NR21 1/20 0.41
PGR P06401 6/20 0.40
DCLRE1B Q9H816 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR1 O14842 1/20 0.37
GRK6 P43250 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PPARD Q03181 1/20 0.37
DHODH Q02127 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL3466993 0.90 OTUD7B (0.38) OTUD7BPGRPPARDPPARGPPARA
SCHEMBL3466408 0.87 PGR (0.53) PARP10PARP11PGRDCLRE1B
SCHEMBL3467479 0.87 ALDH1A1 (0.38) PGRGRK6
SCHEMBL3467737 0.85 TDP2 (0.46) KDM4EDHODHPPARG
SCHEMBL3468501 0.84 TDP2 (0.44) PGR
SCHEMBL3467229 0.84 FFAR1 (0.38) PGRFFAR1
SCHEMBL3466901 0.83 PGR (0.41) PGRGSK3B
SCHEMBL3308412 0.82 KIF11 (0.53) PPARDPPARACDK2
SCHEMBL3467216 0.82 PYGL (0.41) PGRFFAR1
SCHEMBL3466924 0.82 KIF11 (0.41) FFAR1

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