SCHEMBL7218449

SCHEMBL7218449

Nc1cc(C(=O)OC(=O)c2cc(N)c3c(c2N)C(=O)c2ccccc2C3=O)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.72
KMT2A Q03164 7/20 0.72
MAPT P10636 7/20 0.72
THRB P10828 4/20 0.72
MAPK1 P28482 4/20 0.72
MCL1 Q07820 3/20 0.72
NPSR1 Q6W5P4 3/20 0.72
PKM P14618 2/20 0.72
GRK6 P43250 1/20 0.72
KDM4E B2RXH2 1/20 0.72
USP2 O75604 1/20 0.72
ADORA2A P29274 5/20 0.50
CSNK1A1 P48729 2/20 0.50
CSNK1D P48730 2/20 0.50
CSNK1G1 Q9HCP0 2/20 0.50
MAOA P21397 2/20 0.50
FGR P09769 1/20 0.50
PIM1 P11309 1/20 0.50
DYRK1A Q13627 1/20 0.50
HIPK2 Q9H2X6 1/20 0.50

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
SCHEMBL6834609 0.88 MAPT (0.68) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL11419320 0.85 MEN1 (0.65) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL11876094 0.84 GRK6 (1.00) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL2257829 0.84 MAPT (1.00) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL9348887 0.83 MEN1 (0.74) MEN1KMT2AMAPTTHRBMAPK1
Hydrochloric Acid SCHEMBL11760687 0.83 MAPT (0.97) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL30543306 0.83 MEN1 (0.74) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL11760681 0.83 MEN1 (0.74) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL30543307 0.83 MEN1 (0.74) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL10616874 0.81 MAPT (0.59) MEN1KMT2AMAPTTHRBMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6641620-B1 Mixtures of the dyes of the so-called pyrroline type with those of the so-called anthraquinone type BASF AKTIENGESELLSCHAFT (DE) 2003-11-04 US disclosed
EP-1121393-B1 DISPERSE DYE MIXTURES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-09-04 EP disclosed
EP-1121393-A1 DISPERSE DYE MIXTURES DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-08-08 EP disclosed
WO-2000022048-A1 DISPERSE DYE MIXTURES DYSTAR TEXTILFARBEN (DE) 2000-04-20 WO disclosed