SCHEMBL8716262

SCHEMBL8716262

Nc1ccc(C(=O)OC(=O)c2ccc(N)c(N)c2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
GAA P10253 4/20 0.54
HPGD P15428 2/20 0.54
CASP1 P29466 2/20 0.54
CASP7 P55210 2/20 0.54
HSD17B10 Q99714 2/20 0.54
GLA P06280 1/20 0.54
ATM Q13315 1/20 0.54
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 2/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 2/20 0.40
RECQL P46063 2/20 0.40
PKM P14618 1/20 0.40
APEX1 P27695 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL3357496 0.88 MAPT (0.50) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL2809005 0.80 KDM4E (0.57) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL8718220 0.80 MAPT (0.43) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL27447975 0.78 MAPT (0.44) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL29067027 0.77 ALDH1A1 (0.54) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL8716259 0.77 MAPT (0.55) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL5069247 0.76 CYP3A4 (0.46) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL27783257 0.75 KDM4E (0.46) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL30660134 0.75 MAPT (0.48) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL3361354 0.75 MAPT (0.47) MAPTALDH1A1KDM4EGAAHPGD

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-0870082-A1 ENZYMATIC METHOD FOR DYEING NOVO NORDISK BIOCHEM NORTH AMERICA (US) 1998-10-14 EP disclosed
WO-1997023684-A1 ENZYMATIC METHOD FOR DYEING NOVO NORDISK BIOCHEM NORTH AMERICA, INC. (US) 1997-07-03 WO disclosed