SCHEMBL4553536

SCHEMBL4553536

C[CH][C@@H]([CH]N1CCC2(CC1)OCCO2)c1c(F)ccc2ccc(OC)nc12

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.31
POLB P06746 3/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HCRTR1 O43613 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3150340 0.76 MAPT (0.39) ALDH1A1POLBGAALMNAMAPK1
SCHEMBL3150331 0.76 MAPT (0.39) ALDH1A1POLBGAALMNAMAPK1
SCHEMBL3154310 0.73 POLB (0.37) ALDH1A1POLBRAB9AGAASMN1; SMN2
SCHEMBL3154296 0.73 POLB (0.37) ALDH1A1POLBRAB9AGAASMN1; SMN2
SCHEMBL3154307 0.73 POLB (0.37) ALDH1A1POLBRAB9AGAASMN1; SMN2
SCHEMBL3214175 0.64 PTGS2 (0.35) POLBTDP1
SCHEMBL3214187 0.64 PTGS2 (0.37)
SCHEMBL1082893 0.61 KCNH2 (0.37)
SCHEMBL17893708 0.61 LGMN (0.44) ALDH1A1POLBGAALMNASMN1; SMN2
SCHEMBL3400408 0.61 POLB (0.40) POLBTDP1

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
EP-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 WO disclosed