SCHEMBL8717025

SCHEMBL8717025

CCc1c(N)ccc(C(=O)O)c1O.CCc1cc(N)cc(C(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 3/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
PTPN1 P18031 4/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL2927899 0.87 MMP2 (0.48) TDP1KMT2AMEN1MAPTTHRB
SCHEMBL2927430 0.85 TDP1 (0.51) TDP1KMT2AMEN1MAPTTHRB
SCHEMBL2926460 0.74 TDP1 (0.47) TDP1KMT2AMEN1MAPTTHRB
SCHEMBL2924329 0.74 MMP2 (0.46) KMT2AMCL1KDM4EALDH1A1MMP2
SCHEMBL8743511 0.73 GABRP (0.49) TDP1KMT2AMEN1MAPTTHRB
SCHEMBL9874859 0.73 SELL (0.57) TDP1KMT2AMEN1MAPTTHRB
SCHEMBL31336021 0.73 SELL (0.57) TDP1KMT2AMEN1MAPTTHRB
SCHEMBL6683046 0.73 SELL (0.47) TDP1MAPTPOLBKDM4EALDH1A1
SCHEMBL8374984 0.73 SELL (0.50) TDP1MAPTPOLBKDM4EALDH1A1
SCHEMBL10822230 0.73 KDM4E (0.53) TDP1KMT2AMEN1MAPTTHRB

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