SCHEMBL3466901

SCHEMBL3466901

O=C(O)CC1Cc2cc(-c3ccc(Cl)cc3)ccc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.41
TDP2 O95551 1/20 0.40
AHR P35869 1/20 0.38
DGAT1 O75907 5/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
SOAT1 P35610 1/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
MET P08581 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MST1R Q04912 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL3466408 0.89 PGR (0.53) PGRTDP2MMP2MMP9MMP8
SCHEMBL3467216 0.89 PYGL (0.41) PGRAHRDGAT1PDE3BPDE3A
SCHEMBL3468501 0.88 TDP2 (0.44) PGRTDP2
SCHEMBL3466993 0.88 OTUD7B (0.38) PGRDGAT1PDE3BPDE3A
SCHEMBL3467479 0.86 ALDH1A1 (0.38) PGRDGAT1PDE3BPDE3A
SCHEMBL3467229 0.86 FFAR1 (0.38) PGRTDP2DGAT1
SCHEMBL3308412 0.84 KIF11 (0.53) TDP2DGAT1SOAT1KDRPDE3B
SCHEMBL3467246 0.83 OTUD7B (0.43) DGAT1
SCHEMBL3467451 0.83 OTUD7B (0.41) PGRGSK3B
SCHEMBL3467198 0.82 PPARA (0.47) GSK3BMMP2MMP9MMP8

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