SCHEMBL8071863

SCHEMBL8071863

COc1ccc2[nH]c(N3CCC(Nc4ccc(C(=O)O)cc4)CC3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 4/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
FLT3 P36888 1/20 0.43
LTA4H P09960 2/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL8076863 0.88 ALDH1A1 (0.50) LMNAPOLBMAPTGFERNPSR1
SCHEMBL8071856 0.79 MGLL (0.47) LMNAPOLBMAPTALDH1A1
SCHEMBL15920285 0.72 NPY2R (0.49) LMNAPOLBMAPTGFERNPSR1
SCHEMBL5208408 0.72 MEN1 (0.56) LMNAPOLBMAPTGFERNPSR1
SCHEMBL8061122 0.71 HDAC1 (0.47) MAPTFLT3ALDH1A1
SCHEMBL4087324 0.70 HTR2B (0.53) LMNAPOLBMAPTALDH1A1
SCHEMBL8070244 0.70 EHMT2 (0.52)
SCHEMBL1192635 0.70 EGLN1 (0.83) EGLN1
SCHEMBL1664788 0.70 CHEK2 (0.68) LMNAPOLBMAPTGFERALDH1A1
SCHEMBL10383149 0.69 KCNH2 (0.58)

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
US-6156758-A Antibacterial quinazoline compounds ISIS PHARMACEUTICALS, INC. (US) 2000-12-05 US disclosed