SCHEMBL3467737

SCHEMBL3467737

O=C(O)CC1Cc2cc(-c3ccc(F)cc3F)ccc2NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.46
TTR P02766 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DHFR P00374 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
CXCL12 P48061 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL3466820 0.90 TDP2 (0.46) TDP2TTRKDM4EMEN1USP2
SCHEMBL3466993 0.87 OTUD7B (0.38) PPARGHTR2ADGAT1
SCHEMBL3467451 0.85 OTUD7B (0.41) KDM4EPPARGDHODH
SCHEMBL3467479 0.84 ALDH1A1 (0.38) ALDH1A1HSD17B10HRH3DYRK1ADGAT1
SCHEMBL3468501 0.81 TDP2 (0.44) TDP2
SCHEMBL3467229 0.81 FFAR1 (0.38) TDP2HSD17B10FEN1DGAT1
SCHEMBL3466924 0.79 KIF11 (0.41)
SCHEMBL3466901 0.78 PGR (0.41) TDP2DGAT1
SCHEMBL3308412 0.77 KIF11 (0.53) TDP2KMT2ADGAT1
SCHEMBL3467216 0.77 PYGL (0.41) DGAT1

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