SCHEMBL8003577

SCHEMBL8003577

Nc1cc2ccccc2cc1C(=O)Oc1ccc2cccc(N)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
MAPT P10636 5/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
F12 P00748 3/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
TDP2 O95551 1/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLK1 P06870 1/20 0.42
PRSS1 P07477 1/20 0.42

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
SCHEMBL6581562 0.84 KMT2A (0.67) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL23199763 0.81 ALDH1A1 (0.51) MAPTKMT2AMEN1TDP1F12
SCHEMBL7991044 0.81 MAPT (0.55) IDO1MAPTKMT2AMEN1TDP1
SCHEMBL7996110 0.80 IDO1 (0.49) IDO1MAPTKMT2AMEN1ALDH1A1
SCHEMBL11800875 0.80 IDO1 (0.65) IDO1MAPTKMT2AMEN1TDP1
SCHEMBL29257065 0.79 CYP3A4 (0.49) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL8001666 0.78 IDO1 (0.50) IDO1MAPTKMT2AMEN1TDP1
SCHEMBL3502987 0.77 KMT2A (0.60) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL8006532 0.77 IDO1 (0.56) IDO1MAPTKMT2AMEN1TDP1
SCHEMBL8003434 0.75 IDO1 (0.50) IDO1MAPTKMT2AMEN1TDP1

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-6117996-A COMPLEXING; SEPARATION; PURIFICATION OF PROTEINS NOVO NORDISK A/S (DK) 2000-09-12 US disclosed