SCHEMBL9509350

SCHEMBL9509350

Nc1c(OC(=O)O)cc(Cl)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 5/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
THRB P10828 3/20 0.48
MAPK1 P28482 3/20 0.48
PKM P14618 2/20 0.48
MCL1 Q07820 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TTR P02766 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
ADORA2A P29274 4/20 0.46
POLB P06746 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
GRK6 P43250 1/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
RECQL P46063 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
SCHEMBL10607571 0.87 CYP1A1 (0.39) CYP1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL11345777 0.85 MEN1 (0.61) CYP1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL9510439 0.83 CYP1A1 (0.49) CYP1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL4397430 0.79 ADORA2A (0.68) MAPTMEN1KMT2ATHRBMAPK1
SCHEMBL3375833 0.79 MAPT (0.48) CYP1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL10607073 0.77 CYP1A1 (0.40) CYP1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL10884047 0.77 MEN1 (0.53) CYP1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL582033 0.76 CYP1A1 (0.72) CYP1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL27749669 0.75 CYP1A1 (0.70) CYP1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL11115570 0.75 ADORA2A (0.57) CYP1A1CYP1A2MAPTMEN1KMT2A

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-0382053-B1 PROCESS FOR THE PREPARATION OF ANTHRAQUINONE DERIVATIVES BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
EP-0382053-A2 Process for the preparation of anthraquinone derivatives BASF Aktiengesellschaft (DE) 1990-08-16 EP disclosed